6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H27N5O — CID 55494038

About 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55494038) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55494038
• Molecular Formula: C29H27N5O
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.22
• IUPAC Name: 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccccc1-c1cc(C(=O)NC(c2ccccc2)c2ccncc2)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C29H27N5O/c1-19(2)34-28-25(18-31-34)24(17-26(32-28)23-12-8-7-9-20(23)3)29(35)33-27(21-10-5-4-6-11-21)22-13-15-30-16-14-22/h4-19,27H,1-3H3,(H,33,35)
• InChIKey: XFZUUFJFZXONPM-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55494038) is 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NC(c2ccccc2)c2ccncc2)c2cnn(C(C)C)c2n1.

What is the InChIKey of 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is XFZUUFJFZXONPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-19(2)34-28-25(18-31-34)24(17-26(32-28)23-12-8-7-9-20(23)3)29(35)33-27(21-10-5-4-6-11-21)22-13-15-30-16-14-22/h4-19,27H,1-3H3,(H,33,35).

What are the key properties of 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylphenyl)-N-[phenyl(pyridin-4-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55494038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).