1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid

C28H30N4O4 — CID 69433259

About 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid

1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid (PubChem CID 69433259) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid
• PubChem CID: 69433259
• Molecular Formula: C28H30N4O4
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.23
• IUPAC Name: 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid
• SMILES: CC1CCC(C(=O)N(c2nn(-c3ccc(-c4cc5cnccc5o4)cc3)cc2C(=O)O)C(C)C)CC1
• InChI: InChI=1S/C28H30N4O4/c1-17(2)32(27(33)20-6-4-18(3)5-7-20)26-23(28(34)35)16-31(30-26)22-10-8-19(9-11-22)25-14-21-15-29-13-12-24(21)36-25/h8-18,20H,4-7H2,1-3H3,(H,34,35)
• InChIKey: GPOWEGMMKSPKJL-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 101.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?

The IUPAC name of 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid (CID 69433259) is 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid.

What is the SMILES notation for 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?

The canonical SMILES for 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid is CC1CCC(C(=O)N(c2nn(-c3ccc(-c4cc5cnccc5o4)cc3)cc2C(=O)O)C(C)C)CC1.

What is the InChIKey of 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?

The InChIKey is GPOWEGMMKSPKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-17(2)32(27(33)20-6-4-18(3)5-7-20)26-23(28(34)35)16-31(30-26)22-10-8-19(9-11-22)25-14-21-15-29-13-12-24(21)36-25/h8-18,20H,4-7H2,1-3H3,(H,34,35).

What are the key properties of 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid?

1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid has a molecular weight of 486.57 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-furo[3,2-c]pyridin-2-ylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 69433259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).