3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C30H28N4O2 — CID 46364779

About 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 46364779) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 46364779
• Molecular Formula: C30H28N4O2
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.22
• IUPAC Name: 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: CCc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)NCc4ccc(C)cc4)c23)cc1
• InChI: InChI=1S/C30H28N4O2/c1-4-20-13-15-22(16-14-20)28-27-24(30(35)31-18-21-11-9-19(2)10-12-21)17-25(32-29(27)34-33-28)23-7-5-6-8-26(23)36-3/h5-17H,4,18H2,1-3H3,(H,31,35)(H,32,33,34)
• InChIKey: LIFOPPAECHZJJQ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 46364779) is 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CCc1ccc(-c2[nH]nc3nc(-c4ccccc4OC)cc(C(=O)NCc4ccc(C)cc4)c23)cc1.

What is the InChIKey of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is LIFOPPAECHZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-4-20-13-15-22(16-14-20)28-27-24(30(35)31-18-21-11-9-19(2)10-12-21)17-25(32-29(27)34-33-28)23-7-5-6-8-26(23)36-3/h5-17H,4,18H2,1-3H3,(H,31,35)(H,32,33,34).

What are the key properties of 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?

3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethylphenyl)-6-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46364779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).