1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid

C28H31N5O3 — CID 71198466

IUPAC1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid
SMILESCC1CCC(C(=O)N(c2nn(-c3ccc(-c4ccc5nccn5c4)cc3)cc2C(=O)O)C(C)C)CC1
InChIInChI=1S/C28H31N5O3/c1-18(2)33(27(34)21-6-4-19(3)5-7-21)26-24(28(35)36)17-32(30-26)23-11-8-20(9-12-23)22-10-13-25-29-14-15-31(25)16-22/h8-19,21H,4-7H2,1-3H3,(H,35,36)
InChIKeyLZHALSBHQPRQPS-UHFFFAOYSA-N
MW485.59 g/mol
LogP5.45
Rot. Bonds6

About 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid

1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid (PubChem CID 71198466) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid
PubChem CID71198466
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid
SMILESCC1CCC(C(=O)N(c2nn(-c3ccc(-c4ccc5nccn5c4)cc3)cc2C(=O)O)C(C)C)CC1
InChIInChI=1S/C28H31N5O3/c1-18(2)33(27(34)21-6-4-19(3)5-7-21)26-24(28(35)36)17-32(30-26)23-11-8-20(9-12-23)22-10-13-25-29-14-15-31(25)16-22/h8-19,21H,4-7H2,1-3H3,(H,35,36)
InChIKeyLZHALSBHQPRQPS-UHFFFAOYSA-N
XLogP5.45
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid (CID 71198466) is 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid is CC1CCC(C(=O)N(c2nn(-c3ccc(-c4ccc5nccn5c4)cc3)cc2C(=O)O)C(C)C)CC1.
What is the InChIKey of 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?
The InChIKey is LZHALSBHQPRQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18(2)33(27(34)21-6-4-19(3)5-7-21)26-24(28(35)36)17-32(30-26)23-11-8-20(9-12-23)22-10-13-25-29-14-15-31(25)16-22/h8-19,21H,4-7H2,1-3H3,(H,35,36).
What are the key properties of 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?
1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid has a molecular weight of 485.59 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazo[1,2-a]pyridin-6-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 71198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).