6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C28H30N4O3 — CID 20928303

About 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 20928303) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 20928303
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCOc1ccc(OCC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)c1
• InChI: InChI=1S/C28H30N4O3/c1-5-34-21-13-14-25(35-6-2)24(15-21)30-28(33)22-16-23(19-9-10-19)29-27-26(22)18(4)31-32(27)20-11-7-17(3)8-12-20/h7-8,11-16,19H,5-6,9-10H2,1-4H3,(H,30,33)
• InChIKey: LYMDWYSIXSTVDX-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 20928303) is 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccc(C)cc2)c1.

What is the InChIKey of 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is LYMDWYSIXSTVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-5-34-21-13-14-25(35-6-2)24(15-21)30-28(33)22-16-23(19-9-10-19)29-27-26(22)18(4)31-32(27)20-11-7-17(3)8-12-20/h7-8,11-16,19H,5-6,9-10H2,1-4H3,(H,30,33).

What are the key properties of 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-(2,5-diethoxyphenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20928303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).