1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H19F3N4O — CID 16606126

About 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16606126) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 16606126
• Molecular Formula: C23H19F3N4O
• Molecular Weight: 424.43 g/mol
• Exact Mass: 424.15
• IUPAC Name: 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1C(F)(F)F
• InChI: InChI=1S/C23H19F3N4O/c1-13-9-10-16(11-18(13)23(24,25)26)27-22(31)17-12-19(15-7-5-4-6-8-15)28-21-20(17)14(2)29-30(21)3/h4-12H,1-3H3,(H,27,31)
• InChIKey: VXJTUJOERYDYHY-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.43
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16606126) is 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1C(F)(F)F.

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

The InChIKey is VXJTUJOERYDYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-13-9-10-16(11-18(13)23(24,25)26)27-22(31)17-12-19(15-7-5-4-6-8-15)28-21-20(17)14(2)29-30(21)3/h4-12H,1-3H3,(H,27,31).

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

1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16606126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).