1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide

C26H27N7O — CID 122295622

About 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 122295622) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide
• PubChem CID: 122295622
• Molecular Formula: C26H27N7O
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.23
• IUPAC Name: 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)nc(N2CCCC2)n1
• InChI: InChI=1S/C26H27N7O/c1-18-16-24(30-26(27-18)33-14-6-7-15-33)28-20-10-12-21(13-11-20)29-25(34)23-17-22(31-32(23)2)19-8-4-3-5-9-19/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,29,34)(H,27,28,30)
• InChIKey: ACHHTPAFDYUSPX-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide?

The IUPAC name of 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide (CID 122295622) is 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc2)nc(N2CCCC2)n1.

What is the InChIKey of 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide?

The InChIKey is ACHHTPAFDYUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-18-16-24(30-26(27-18)33-14-6-7-15-33)28-20-10-12-21(13-11-20)29-25(34)23-17-22(31-32(23)2)19-8-4-3-5-9-19/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,29,34)(H,27,28,30).

What are the key properties of 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide?

1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 122295622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).