5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide

C26H23ClF2N6O2 — CID 130225333

About 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide

5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 130225333) has the molecular formula C26H23ClF2N6O2 and a molecular weight of 524.96 g/mol. Its IUPAC name is 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
• PubChem CID: 130225333
• Molecular Formula: C26H23ClF2N6O2
• Molecular Weight: 524.96 g/mol
• Exact Mass: 524.15
• IUPAC Name: 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
• SMILES: CC(C)CNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)c(F)cc3F)ccc2Cl)n(-c2ccccc2)n1
• InChI: InChI=1S/C26H23ClF2N6O2/c1-14(2)13-31-26(37)21-12-22(35(34-21)16-6-4-3-5-7-16)32-25(36)17-10-15(8-9-18(17)27)23-19(28)11-20(29)24(30)33-23/h3-12,14H,13H2,1-2H3,(H2,30,33)(H,31,37)(H,32,36)
• InChIKey: REWJJWPCZXSCGP-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.96
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?

The IUPAC name of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide (CID 130225333) is 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?

The canonical SMILES for 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide is CC(C)CNC(=O)c1cc(NC(=O)c2cc(-c3nc(N)c(F)cc3F)ccc2Cl)n(-c2ccccc2)n1.

What is the InChIKey of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?

The InChIKey is REWJJWPCZXSCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N6O2/c1-14(2)13-31-26(37)21-12-22(35(34-21)16-6-4-3-5-7-16)32-25(36)17-10-15(8-9-18(17)27)23-19(28)11-20(29)24(30)33-23/h3-12,14H,13H2,1-2H3,(H2,30,33)(H,31,37)(H,32,36).

What are the key properties of 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?

5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 524.96 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(6-amino-3,5-difluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 130225333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).