5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide

C27H23N7O — CID 59198124

About 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide

5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide (PubChem CID 59198124) has the molecular formula C27H23N7O and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide
• PubChem CID: 59198124
• Molecular Formula: C27H23N7O
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.20
• IUPAC Name: 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)c(C)c2)n(-c2ccccc2)n1
• InChI: InChI=1S/C27H23N7O/c1-18-15-21(30-26(35)25-16-19(2)33-34(25)22-8-4-3-5-9-22)10-11-23(18)31-27-29-14-12-24(32-27)20-7-6-13-28-17-20/h3-17H,1-2H3,(H,30,35)(H,29,31,32)
• InChIKey: ZFLWKWIVWHCCJK-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide?

The IUPAC name of 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide (CID 59198124) is 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide?

The canonical SMILES for 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)c(C)c2)n(-c2ccccc2)n1.

What is the InChIKey of 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide?

The InChIKey is ZFLWKWIVWHCCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O/c1-18-15-21(30-26(35)25-16-19(2)33-34(25)22-8-4-3-5-9-22)10-11-23(18)31-27-29-14-12-24(32-27)20-7-6-13-28-17-20/h3-17H,1-2H3,(H,30,35)(H,29,31,32).

What are the key properties of 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide?

5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 59198124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).