4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile

C21H22ClN5 — CID 90237572

IUPAC4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile
SMILESCC1CCC([C@H](C)n2cnc3cc(C#N)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C21H22ClN5/c1-13-3-5-15(6-4-13)14(2)27-12-25-19-8-18(9-23)26-20(21(19)27)16-7-17(22)11-24-10-16/h7-8,10-15H,3-6H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyQGSOKYSPHOABJU-SLTAFYQDSA-N
MW379.90 g/mol
LogP5.41
Rot. Bonds3

About 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile

4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile (PubChem CID 90237572) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile
PubChem CID90237572
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile
SMILESCC1CCC([C@H](C)n2cnc3cc(C#N)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C21H22ClN5/c1-13-3-5-15(6-4-13)14(2)27-12-25-19-8-18(9-23)26-20(21(19)27)16-7-17(22)11-24-10-16/h7-8,10-15H,3-6H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyQGSOKYSPHOABJU-SLTAFYQDSA-N
XLogP5.41
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-3-pyridinyl)-2-(3-hydroxyprop-1-en-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
CID 86724587
4-(5-chloro-3-pyridinyl)-2-(2-ethynylpyrrolidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
CID 90235977
4-(5-chloro-3-pyridinyl)-2-[(R)-ethoxy(phenyl)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
CID 90237199
4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile
CID 86724534
(2S)-1-[4-(5-chloro-3-pyridinyl)-6-cyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]pyrrolidine-2-carboxylic acid
CID 86724537
(2S)-1-[4-(5-chloro-3-pyridinyl)-6-cyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide
CID 86724538
2-[(4aR,7aR)-4-acetyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyrazin-1-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
CID 86724564
4-(5-chloro-3-pyridinyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]-methylamino]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
CID 90235701
tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-cyano-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate
CID 86724558
3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684144
4-(5-chloro-3-pyridinyl)-5-[(4-methylcyclohexyl)methyl]-7-phenylpyrrolo[3,2-d]pyrimidine-2-carbonitrile
CID 118511893
7-benzyl-4-(5-chloro-3-pyridinyl)-5-[(4-methylcyclohexyl)methyl]pyrrolo[3,2-d]pyrimidine-2-carbonitrile
CID 118511902

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile?
The IUPAC name of 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile (CID 90237572) is 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile is CC1CCC([C@H](C)n2cnc3cc(C#N)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile?
The InChIKey is QGSOKYSPHOABJU-SLTAFYQDSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-13-3-5-15(6-4-13)14(2)27-12-25-19-8-18(9-23)26-20(21(19)27)16-7-17(22)11-24-10-16/h7-8,10-15H,3-6H2,1-2H3/t13?,14-,15?/m0/s1.
What are the key properties of 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile?
4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile has a molecular weight of 379.90 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-pyridinyl)-3-[(1S)-1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine-6-carbonitrile is sourced from PubChem (CID 90237572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).