N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C24H25FN6O3 — CID 55965791

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55965791) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
• PubChem CID: 55965791
• Molecular Formula: C24H25FN6O3
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
• SMILES: N#Cc1c(CCCNC(=O)C2CCCCN2C(=O)c2ccco2)nn(-c2ccc(F)cc2)c1N
• InChI: InChI=1S/C24H25FN6O3/c25-16-8-10-17(11-9-16)31-22(27)18(15-26)19(29-31)5-3-12-28-23(32)20-6-1-2-13-30(20)24(33)21-7-4-14-34-21/h4,7-11,14,20H,1-3,5-6,12-13,27H2,(H,28,32)
• InChIKey: NQLYEIOERVKDAH-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 130.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?

The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55965791) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?

The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is N#Cc1c(CCCNC(=O)C2CCCCN2C(=O)c2ccco2)nn(-c2ccc(F)cc2)c1N.

What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?

The InChIKey is NQLYEIOERVKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c25-16-8-10-17(11-9-16)31-22(27)18(15-26)19(29-31)5-3-12-28-23(32)20-6-1-2-13-30(20)24(33)21-7-4-14-34-21/h4,7-11,14,20H,1-3,5-6,12-13,27H2,(H,28,32).

What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55965791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).