7-Methoxy-1H-indazole - CAS 133841-05-1

Catalog:	BB007825
Product Name:	7-Methoxy-1H-indazole
CAS:	133841-05-1
Synonyms:	7-methoxy-1H-indazole; 7-methoxy-1H-indazole

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Computed Properties

IUPAC Name:	7-methoxy-1H-indazole
Description:	7-Methoxy-1H-indazole (CAS# 133841-05-1) is an inhibitor of neuronal nitric oxide synthase.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	COC1=CC=CC2=C1NN=C2
InChI:	InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
InChI Key:	QCBANHQTMCETBI-UHFFFAOYSA-N
Boiling Point:	312.5 °C at 760 mmHg
Density:	1.244 g/cm³
Appearance:	Solid
MDL:	MFCD08752584
LogP:	1.57150

Publication Number	Title	Priority Date
WO-2021094416-A1	7-pyrimidine-2-yl-oxy-indazole derivatives and their use as herbicides	20191114
AU-2018364738-A1	Modified ligand-gated ion channels and methods of use	20171110
CA-3082389-A1	Modified ligand-gated ion channels and methods of use	20171110
WO-2019094778-A1	Modified ligand-gated ion channels and methods of use	20171110
CN-111556751-A	Modified ligand-gated ion channels and methods of use	20171110

PMID	Publication Date	Title	Journal
21334118	20110401	Synthesis and biological evaluation of indazole derivatives	European journal of medicinal chemistry
14623174	20030901	Inhibitory effects and spectral interactions of isomeric methoxyindazoles on recombinant nitric oxide synthases	Nitric oxide : biology and chemistry
12943204	20030401	Synthesis, pharmacological study and modeling of 7-methoxyindazole and related substituted indazoles as neuronal nitric oxide synthase inhibitors	Journal of enzyme inhibition and medicinal chemistry
12415184	20021101	7-Methoxy-1H-indazole, a new inhibitor of neuronal nitric oxide synthase	Acta crystallographica. Section C, Crystal structure communications
11354365	20010507	Inhibition of neuronal nitric oxide synthase by 7-methoxyindazole and related substituted indazoles	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Indazoles

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[271-44-3]
Indazole
[4498-67-3]
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[590417-95-1]
6-Bromo-2-methyl-2H-indazole
[885520-77-4]
4-Methyl-6-nitro-1H-indazole
[3176-66-7]
7-Methyl-1H-indazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5