4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid

C26H27ClN6O2 — CID 123708135

IUPAC4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC1CCC(CCn2c(Nc3ccccn3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C26H27ClN6O2/c1-16-5-7-17(8-6-16)9-11-33-24-20(31-26(33)32-22-4-2-3-10-29-22)13-21(25(34)35)30-23(24)18-12-19(27)15-28-14-18/h2-4,10,12-17H,5-9,11H2,1H3,(H,34,35)(H,29,31,32)
InChIKeyKSQCPSVPOXSOBP-UHFFFAOYSA-N
MW491.00 g/mol
LogP6.20
Rot. Bonds7

About 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid

4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 123708135) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID123708135
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC1CCC(CCn2c(Nc3ccccn3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C26H27ClN6O2/c1-16-5-7-17(8-6-16)9-11-33-24-20(31-26(33)32-22-4-2-3-10-29-22)13-21(25(34)35)30-23(24)18-12-19(27)15-28-14-18/h2-4,10,12-17H,5-9,11H2,1H3,(H,34,35)(H,29,31,32)
InChIKeyKSQCPSVPOXSOBP-UHFFFAOYSA-N
XLogP6.20
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.00
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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CID 58266559
(2R)-2-[[6-[(3-Chloro-4-carboxyphenyl)amino]-9-(1-methylethyl)-9H-purin-2-YL]amino]-3-methyl-1-butanol
CID 4367562
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76285806
4-(5-chloropyridin-3-yl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 90236161
1-[(4-Tert-butylphenyl)methyl]-6-chloropyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127049675
6-Chloro-1-[[4-(4-methyloxan-4-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 127053027
5-(3-Chloroanilino)-3-(dimethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53320898
8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869166
4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869167
4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869168
8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869169

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid (CID 123708135) is 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid is CC1CCC(CCn2c(Nc3ccccn3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is KSQCPSVPOXSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-16-5-7-17(8-6-16)9-11-33-24-20(31-26(33)32-22-4-2-3-10-29-22)13-21(25(34)35)30-23(24)18-12-19(27)15-28-14-18/h2-4,10,12-17H,5-9,11H2,1H3,(H,34,35)(H,29,31,32).
What are the key properties of 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid?
4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 491.00 g/mol, XLogP of 6.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-pyridinyl)-3-[2-(4-methylcyclohexyl)ethyl]-2-(pyridin-2-ylamino)imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 123708135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).