5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide

C26H18ClFN6O3 — CID 126962739

About 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide

5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 126962739) has the molecular formula C26H18ClFN6O3 and a molecular weight of 516.92 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
• PubChem CID: 126962739
• Molecular Formula: C26H18ClFN6O3
• Molecular Weight: 516.92 g/mol
• Exact Mass: 516.11
• IUPAC Name: 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
• SMILES: O=C(NCc1ccon1)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
• InChI: InChI=1S/C26H18ClFN6O3/c27-20-13-21(28)19(22-8-4-5-10-29-22)12-18(20)25(35)31-24-14-23(26(36)30-15-16-9-11-37-33-16)32-34(24)17-6-2-1-3-7-17/h1-14H,15H2,(H,30,36)(H,31,35)
• InChIKey: IUZBCAFYSUGNCW-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.92
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?

The IUPAC name of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide (CID 126962739) is 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?

The canonical SMILES for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide is O=C(NCc1ccon1)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1.

What is the InChIKey of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?

The InChIKey is IUZBCAFYSUGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN6O3/c27-20-13-21(28)19(22-8-4-5-10-29-22)12-18(20)25(35)31-24-14-23(26(36)30-15-16-9-11-37-33-16)32-34(24)17-6-2-1-3-7-17/h1-14H,15H2,(H,30,36)(H,31,35).

What are the key properties of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide?

5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 516.92 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126962739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).