6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H29N5O2 — CID 55515573

About 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55515573) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55515573
• Molecular Formula: C29H29N5O2
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.23
• IUPAC Name: 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(C(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C29H29N5O2/c1-17-27-22(14-26(19-8-9-19)32-28(27)34(2)33-17)29(35)31-15-23(18-10-12-20(36-3)13-11-18)24-16-30-25-7-5-4-6-21(24)25/h4-7,10-14,16,19,23,30H,8-9,15H2,1-3H3,(H,31,35)
• InChIKey: HSFSZHUABIQBCP-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55515573) is 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(C(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c2c[nH]c3ccccc23)cc1.

What is the InChIKey of 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HSFSZHUABIQBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-17-27-22(14-26(19-8-9-19)32-28(27)34(2)33-17)29(35)31-15-23(18-10-12-20(36-3)13-11-18)24-16-30-25-7-5-4-6-21(24)25/h4-7,10-14,16,19,23,30H,8-9,15H2,1-3H3,(H,31,35).

What are the key properties of 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55515573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).