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

C25H26N8O2 — CID 90520683

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

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90520683) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 90520683
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCCN(c2cc(-n3cccn3)ncn2)C1
• InChI: InChI=1S/C25H26N8O2/c34-24-10-9-21(19-6-2-1-3-7-19)30-33(24)15-12-26-25(35)20-8-4-13-31(17-20)22-16-23(28-18-27-22)32-14-5-11-29-32/h1-3,5-7,9-11,14,16,18,20H,4,8,12-13,15,17H2,(H,26,35)
• InChIKey: RRMPEKFNQOPLGX-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 110.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90520683) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

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

The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCCN(c2cc(-n3cccn3)ncn2)C1.

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

The InChIKey is RRMPEKFNQOPLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c34-24-10-9-21(19-6-2-1-3-7-19)30-33(24)15-12-26-25(35)20-8-4-13-31(17-20)22-16-23(28-18-27-22)32-14-5-11-29-32/h1-3,5-7,9-11,14,16,18,20H,4,8,12-13,15,17H2,(H,26,35).

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

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90520683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).