5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid

C25H23ClN6O3 — CID 83286226

IUPAC5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc2cccnc2n1C1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1
InChIInChI=1S/C25H23ClN6O3/c1-15-29-21-3-2-10-27-23(21)32(15)19-8-11-31(12-9-19)22-20(25(34)35)13-18(14-28-22)30-24(33)16-4-6-17(26)7-5-16/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,30,33)(H,34,35)
InChIKeyLUZLNDWRBABQGP-UHFFFAOYSA-N
MW490.95 g/mol
LogP4.58
Rot. Bonds5

About 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid

5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 83286226) has the molecular formula C25H23ClN6O3 and a molecular weight of 490.95 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID83286226
Molecular FormulaC25H23ClN6O3
Molecular Weight490.95 g/mol
Exact Mass490.15
IUPAC Name5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc2cccnc2n1C1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1
InChIInChI=1S/C25H23ClN6O3/c1-15-29-21-3-2-10-27-23(21)32(15)19-8-11-31(12-9-19)22-20(25(34)35)13-18(14-28-22)30-24(33)16-4-6-17(26)7-5-16/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,30,33)(H,34,35)
InChIKeyLUZLNDWRBABQGP-UHFFFAOYSA-N
XLogP4.58
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-[(4-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 83288205
5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 83289463
5-[(2-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060843
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
N-(2,4-difluorophenyl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286581
2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094502
4-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(thiophene-2-carbonylamino)benzoic acid
CID 83286232
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
(3-chlorophenyl)-[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108267
5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83290164
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 83286226) is 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1nc2cccnc2n1C1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)O)CC1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is LUZLNDWRBABQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O3/c1-15-29-21-3-2-10-27-23(21)32(15)19-8-11-31(12-9-19)22-20(25(34)35)13-18(14-28-22)30-24(33)16-4-6-17(26)7-5-16/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,30,33)(H,34,35).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 490.95 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83286226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).