2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C16H22N4 — CID 81140045

IUPAC2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCc1ccc2[nH]c(C3CCC4CCCCC4N3)nc2n1
InChIInChI=1S/C16H22N4/c1-10-6-8-14-15(17-10)20-16(19-14)13-9-7-11-4-2-3-5-12(11)18-13/h6,8,11-13,18H,2-5,7,9H2,1H3,(H,17,19,20)
InChIKeyLRBMCQIFSUMOBJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.25
Rot. Bonds1

About 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 81140045) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID81140045
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCc1ccc2[nH]c(C3CCC4CCCCC4N3)nc2n1
InChIInChI=1S/C16H22N4/c1-10-6-8-14-15(17-10)20-16(19-14)13-9-7-11-4-2-3-5-12(11)18-13/h6,8,11-13,18H,2-5,7,9H2,1H3,(H,17,19,20)
InChIKeyLRBMCQIFSUMOBJ-UHFFFAOYSA-N
XLogP3.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

2-cyclobutyl-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137891
2-(6-chloro-1H-benzimidazol-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66470272
5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81137336
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 81137693
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469339
N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine
CID 81136986
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-5,6-difluoro-1H-benzimidazole
CID 43470893
N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469560
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136712
(2S,3aS,8aS)-2-[6-[(1S,4R,7S,10R)-11-[2-[(2S,3aS,8aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadecanyl]-1H-benzimidazol-2-yl]-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrole
CID 129200809
5-ethoxy-2-pyrrolidin-2-yl-1H-imidazo[4,5-b]pyridine
CID 79815652

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 81140045) is 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is Cc1ccc2[nH]c(C3CCC4CCCCC4N3)nc2n1.
What is the InChIKey of 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is LRBMCQIFSUMOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10-6-8-14-15(17-10)20-16(19-14)13-9-7-11-4-2-3-5-12(11)18-13/h6,8,11-13,18H,2-5,7,9H2,1H3,(H,17,19,20).
What are the key properties of 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 270.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 81140045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).