3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione

C32H31N7O2 — CID 45273497

About 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione (PubChem CID 45273497) has the molecular formula C32H31N7O2 and a molecular weight of 545.65 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione
• PubChem CID: 45273497
• Molecular Formula: C32H31N7O2
• Molecular Weight: 545.65 g/mol
• Exact Mass: 545.25
• IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione
• SMILES: Cn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)N(c3ccccn3)C2=O)c2ccccc21
• InChI: InChI=1S/C32H31N7O2/c1-36-21-24(22-11-3-4-13-25(22)36)27-28(32(41)39(31(27)40)26-14-5-6-15-33-26)29-23-12-9-16-34-30(23)38(35-29)20-10-19-37-17-7-2-8-18-37/h3-6,9,11-16,21H,2,7-8,10,17-20H2,1H3
• InChIKey: WKSVFDOUMUUHCC-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 89.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.65
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione?

The IUPAC name of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione (CID 45273497) is 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione.

What is the SMILES notation for 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione?

The canonical SMILES for 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)N(c3ccccn3)C2=O)c2ccccc21.

What is the InChIKey of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione?

The InChIKey is WKSVFDOUMUUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O2/c1-36-21-24(22-11-3-4-13-25(22)36)27-28(32(41)39(31(27)40)26-14-5-6-15-33-26)29-23-12-9-16-34-30(23)38(35-29)20-10-19-37-17-7-2-8-18-37/h3-6,9,11-16,21H,2,7-8,10,17-20H2,1H3.

What are the key properties of 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione?

3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione has a molecular weight of 545.65 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 45273497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).