4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid

C23H29N5O4 — CID 169006139

IUPAC4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(C(=O)O)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C23H29N5O4/c1-14-2-4-17(5-3-14)25-21(29)15-7-10-28(11-8-15)22(30)19-13-18(26-27-19)16-6-9-24-20(12-16)23(31)32/h6,9,12-15,17H,2-5,7-8,10-11H2,1H3,(H,25,29)(H,26,27)(H,31,32)
InChIKeyNVSKJSWPSZNOTQ-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.72
Rot. Bonds5

About 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid

4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid (PubChem CID 169006139) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid
PubChem CID169006139
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid
SMILESCC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(C(=O)O)c4)n[nH]3)CC2)CC1
InChIInChI=1S/C23H29N5O4/c1-14-2-4-17(5-3-14)25-21(29)15-7-10-28(11-8-15)22(30)19-13-18(26-27-19)16-6-9-24-20(12-16)23(31)32/h6,9,12-15,17H,2-5,7-8,10-11H2,1H3,(H,25,29)(H,26,27)(H,31,32)
InChIKeyNVSKJSWPSZNOTQ-UHFFFAOYSA-N
XLogP2.72
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

1-[3-(2-cyclopropyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295763
1-[3-[2-(dimethylamino)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375375
1-[3-[2-(difluoromethoxy)-4-pyridinyl]-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 167375058
N-(4-methylcyclohexyl)-1-(3-pyrimidin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163294964
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
1-[3-(2-methoxy-3-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 163295438
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
N-cyclopentyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087604
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 52529847
N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid (CID 169006139) is 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid is CC1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4ccnc(C(=O)O)c4)n[nH]3)CC2)CC1.
What is the InChIKey of 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid?
The InChIKey is NVSKJSWPSZNOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-14-2-4-17(5-3-14)25-21(29)15-7-10-28(11-8-15)22(30)19-13-18(26-27-19)16-6-9-24-20(12-16)23(31)32/h6,9,12-15,17H,2-5,7-8,10-11H2,1H3,(H,25,29)(H,26,27)(H,31,32).
What are the key properties of 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid?
4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid has a molecular weight of 439.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[(4-methylcyclohexyl)carbamoyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 169006139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).