2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol

C32H25N7O — CID 137379637

About 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol

2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol (PubChem CID 137379637) has the molecular formula C32H25N7O and a molecular weight of 523.60 g/mol. Its IUPAC name is 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol
• PubChem CID: 137379637
• Molecular Formula: C32H25N7O
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.21
• IUPAC Name: 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol
• SMILES: OC(Cc1ccccc1)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccn6)cccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C32H25N7O/c40-31(13-20-7-2-1-3-8-20)36-22-14-21(17-33-18-22)28-16-25-30(19-35-28)38-39-32(25)29-15-24-23(9-6-11-27(24)37-29)26-10-4-5-12-34-26/h1-12,14-19,31,36-37,40H,13H2,(H,38,39)
• InChIKey: MHBJORUNOWAZOY-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 115.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The IUPAC name of 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol (CID 137379637) is 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol.

What is the SMILES notation for 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The canonical SMILES for 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol is OC(Cc1ccccc1)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccccn6)cccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The InChIKey is MHBJORUNOWAZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7O/c40-31(13-20-7-2-1-3-8-20)36-22-14-21(17-33-18-22)28-16-25-30(19-35-28)38-39-32(25)29-15-24-23(9-6-11-27(24)37-29)26-10-4-5-12-34-26/h1-12,14-19,31,36-37,40H,13H2,(H,38,39).

What are the key properties of 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol has a molecular weight of 523.60 g/mol, XLogP of 6.20, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 137379637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).