1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H22N6O — CID 139015887

About 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 139015887) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 139015887
• Molecular Formula: C26H22N6O
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.19
• IUPAC Name: 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)nc(-c2ccccc2)n1
• InChI: InChI=1S/C26H22N6O/c1-16-14-22(29-24(27-16)19-12-8-5-9-13-19)30-26(33)20-15-21(18-10-6-4-7-11-18)28-25-23(20)17(2)31-32(25)3/h4-15H,1-3H3,(H,27,29,30,33)
• InChIKey: UGRPBTDMDLAURX-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 139015887) is 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)nc(-c2ccccc2)n1.

What is the InChIKey of 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is UGRPBTDMDLAURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-16-14-22(29-24(27-16)19-12-8-5-9-13-19)30-26(33)20-15-21(18-10-6-4-7-11-18)28-25-23(20)17(2)31-32(25)3/h4-15H,1-3H3,(H,27,29,30,33).

What are the key properties of 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 139015887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).