6,7-Dihydro-5H-pyrrolo[3,4-b]pyridin-5-one - CAS 40107-93-5

Catalog:	BB024312
Product Name:	6,7-Dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CAS:	40107-93-5
Synonyms:	6,7-dihydropyrrolo[3,4-b]pyridin-5-one; 6,7-dihydropyrrolo[3,4-b]pyridin-5-one

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Computed Properties

IUPAC Name:	6,7-dihydropyrrolo[3,4-b]pyridin-5-one
Description:	6,7-Dihydro-5H-pyrrolo[3,4-b]pyridin-5-one (CAS# 40107-93-5 ) is a useful research chemical.
Molecular Weight:	134.14
Molecular Formula:	C7H6N2O
Canonical SMILES:	C1C2=C(C=CC=N2)C(=O)N1
InChI:	InChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-3H,4H2,(H,9,10)
InChI Key:	IPMQFUGFGHJSEI-UHFFFAOYSA-N
LogP:	0.33540

Publication Number	Title	Priority Date
WO-2021121282-A1	Preparation and application of class of n-containing heterocyclic compounds with immunomodulatory function	20191217
WO-2021039968-A1	2-aminoquinazolinone derivative	20190830
EP-3831824-A1	Preparation and application of class of n-containing heterocyclic compounds having immunoregulatory function	20180801
WO-2020011246-A1	Benzene ring-containing compound, preparation method therefor and application thereof	20180713
US-2020385395-A1	Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto	20171206

PMID	Publication Date	Title	Journal
22835719	20120901	Identification of a sirtuin 3 inhibitor that displays selectivity over sirtuin 1 and 2	European journal of medicinal chemistry

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.048012819
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	42 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3