5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide

C26H24ClN7O3 — CID 130200355

About 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide

5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 130200355) has the molecular formula C26H24ClN7O3 and a molecular weight of 517.98 g/mol. Its IUPAC name is 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
• PubChem CID: 130200355
• Molecular Formula: C26H24ClN7O3
• Molecular Weight: 517.98 g/mol
• Exact Mass: 517.16
• IUPAC Name: 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
• SMILES: CN(C)C(=O)CNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)ccc2Cl)n(-c2ccccc2)n1
• InChI: InChI=1S/C26H24ClN7O3/c1-33(2)24(35)15-29-26(37)21-14-23(34(32-21)17-7-4-3-5-8-17)31-25(36)18-13-16(11-12-19(18)27)20-9-6-10-22(28)30-20/h3-14H,15H2,1-2H3,(H2,28,30)(H,29,37)(H,31,36)
• InChIKey: HXPMZDGHGCHTTI-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 135.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.98
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide (CID 130200355) is 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide.

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

The canonical SMILES for 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide is CN(C)C(=O)CNC(=O)c1cc(NC(=O)c2cc(-c3cccc(N)n3)ccc2Cl)n(-c2ccccc2)n1.

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

The InChIKey is HXPMZDGHGCHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3/c1-33(2)24(35)15-29-26(37)21-14-23(34(32-21)17-7-4-3-5-8-17)31-25(36)18-13-16(11-12-19(18)27)20-9-6-10-22(28)30-20/h3-14H,15H2,1-2H3,(H2,28,30)(H,29,37)(H,31,36).

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

5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 517.98 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 130200355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).