N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C25H25FN8O2 — CID 56724685

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 56724685) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 56724685
• Molecular Formula: C25H25FN8O2
• Molecular Weight: 488.53 g/mol
• Exact Mass: 488.21
• IUPAC Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)C1CCCN(c2cc(-n3cccn3)ncn2)C1
• InChI: InChI=1S/C25H25FN8O2/c26-20-6-4-18(5-7-20)21-8-9-24(35)34(31-21)14-11-27-25(36)19-3-1-12-32(16-19)22-15-23(29-17-28-22)33-13-2-10-30-33/h2,4-10,13,15,17,19H,1,3,11-12,14,16H2,(H,27,36)
• InChIKey: DPVNBPHJZQAGAV-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 110.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.53
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 56724685) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)C1CCCN(c2cc(-n3cccn3)ncn2)C1.

What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is DPVNBPHJZQAGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c26-20-6-4-18(5-7-20)21-8-9-24(35)34(31-21)14-11-27-25(36)19-3-1-12-32(16-19)22-15-23(29-17-28-22)33-13-2-10-30-33/h2,4-10,13,15,17,19H,1,3,11-12,14,16H2,(H,27,36).

What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56724685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).