[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone

C24H26N6O4 — CID 53087557

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (PubChem CID 53087557) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
• PubChem CID: 53087557
• Molecular Formula: C24H26N6O4
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.20
• IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
• SMILES: O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
• InChI: InChI=1S/C24H26N6O4/c31-22(29-11-13-30(14-12-29)24(33)21-2-1-15-34-21)18-5-9-28(10-6-18)23(32)20-16-19(26-27-20)17-3-7-25-8-4-17/h1-4,7-8,15-16,18H,5-6,9-14H2,(H,26,27)
• InChIKey: VFOLPYXYFCFIRN-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 115.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?

The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (CID 53087557) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.

What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?

The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1.

What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?

The InChIKey is VFOLPYXYFCFIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c31-22(29-11-13-30(14-12-29)24(33)21-2-1-15-34-21)18-5-9-28(10-6-18)23(32)20-16-19(26-27-20)17-3-7-25-8-4-17/h1-4,7-8,15-16,18H,5-6,9-14H2,(H,26,27).

What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone has a molecular weight of 462.51 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 53087557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).