5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide

C27H19ClFN7O2 — CID 126963097

About 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide

5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 126963097) has the molecular formula C27H19ClFN7O2 and a molecular weight of 527.95 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide
• PubChem CID: 126963097
• Molecular Formula: C27H19ClFN7O2
• Molecular Weight: 527.95 g/mol
• Exact Mass: 527.13
• IUPAC Name: 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide
• SMILES: O=C(NCc1cnccn1)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
• InChI: InChI=1S/C27H19ClFN7O2/c28-21-13-22(29)20(23-8-4-5-9-32-23)12-19(21)26(37)34-25-14-24(35-36(25)18-6-2-1-3-7-18)27(38)33-16-17-15-30-10-11-31-17/h1-15H,16H2,(H,33,38)(H,34,37)
• InChIKey: IPFUGPPZEBHPQP-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.95
LogP ≤ 5	4.70
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]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide?

The IUPAC name of 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide (CID 126963097) is 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide.

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

The canonical SMILES for 5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide is O=C(NCc1cnccn1)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]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide?

The InChIKey is IPFUGPPZEBHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClFN7O2/c28-21-13-22(29)20(23-8-4-5-9-32-23)12-19(21)26(37)34-25-14-24(35-36(25)18-6-2-1-3-7-18)27(38)33-16-17-15-30-10-11-31-17/h1-15H,16H2,(H,33,38)(H,34,37).

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

5-[(2-chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 527.95 g/mol, XLogP of 4.70, 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]-1-phenyl-N-(pyrazin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 126963097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).