N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C28H24FN7OS — CID 121148745

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121148745) has the molecular formula C28H24FN7OS and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
• PubChem CID: 121148745
• Molecular Formula: C28H24FN7OS
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.17
• IUPAC Name: N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
• SMILES: O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)C1CCN(c2ccc(-n3cccn3)nn2)CC1
• InChI: InChI=1S/C28H24FN7OS/c29-22-8-3-1-6-20(22)28-32-24(18-38-28)21-7-2-4-9-23(21)31-27(37)19-12-16-35(17-13-19)25-10-11-26(34-33-25)36-15-5-14-30-36/h1-11,14-15,18-19H,12-13,16-17H2,(H,31,37)
• InChIKey: OHPUYNYUUPEOJS-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121148745) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)C1CCN(c2ccc(-n3cccn3)nn2)CC1.

What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The InChIKey is OHPUYNYUUPEOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7OS/c29-22-8-3-1-6-20(22)28-32-24(18-38-28)21-7-2-4-9-23(21)31-27(37)19-12-16-35(17-13-19)25-10-11-26(34-33-25)36-15-5-14-30-36/h1-11,14-15,18-19H,12-13,16-17H2,(H,31,37).

What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121148745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).