(5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone - CAS 1703788-55-9

Name: (5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone
Brand: BOC Sciences
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Catalog:	BB012637
Product Name:	(5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone
CAS:	1703788-55-9
Synonyms:	(5-amino-1-methyl-3-indolyl)-cyclopropylmethanone; (5-amino-1-methylindol-3-yl)-cyclopropylmethanone

Technical Data

IUPAC Name:	(5-amino-1-methylindol-3-yl)-cyclopropylmethanone
Description:	(5-Amino-1-methyl-3-indolyl)(cyclopropyl)methanone (CAS# 1703788-55-9) is an idole derivative. Synthetic indole-derived cannabinoids have become commonly used recreational drugs and continue to be abused despite their adverse consequences.
Molecular Weight:	214.26
Molecular Formula:	C13H14N2O
Canonical SMILES:	CN1C=C(C2=C1C=CC(=C2)N)C(=O)C3CC3
InChI:	InChI=1S/C13H14N2O/c1-15-7-11(13(16)8-2-3-8)10-6-9(14)4-5-12(10)15/h4-8H,2-3,14H2,1H3
InChI Key:	PYEPLBSZZOCQTB-UHFFFAOYSA-N
LogP:	2.93440

Publication Number	Title	Priority Date
AU-2014340249-B2	Substituted pyrimidine compounds and their use as SYK inhibitors	20131021
CN-105940000-B	Substituted pyrimidine compounds and their use as SYK inhibitors	20131021
EP-3060562-A1	Substituted pyrimidine compounds and their use as syk inhibitors	20131021
US-2015111883-A1	Substituted pyrimidine compounds and their use as syk inhibitors	20131021
US-9212178-B2	Substituted pyrimidine compounds and their use as SYK inhibitors	20131021

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.110613074
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	48
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7