2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol

C30H23N9O — CID 137282944

About 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol

2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol (PubChem CID 137282944) has the molecular formula C30H23N9O and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol
• PubChem CID: 137282944
• Molecular Formula: C30H23N9O
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.20
• IUPAC Name: 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol
• SMILES: OC(Cc1ccccc1)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccncc6)c5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C30H23N9O/c40-26(12-18-4-2-1-3-5-18)35-21-13-20(15-32-16-21)24-14-23-25(17-34-24)38-39-28(23)30-36-27-22(8-11-33-29(27)37-30)19-6-9-31-10-7-19/h1-11,13-17,26,35,40H,12H2,(H,38,39)(H,33,36,37)
• InChIKey: MDRFAEKLTVZKMQ-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 141.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The IUPAC name of 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol (CID 137282944) is 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-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-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The canonical SMILES for 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol is OC(Cc1ccccc1)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccncc6)c5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The InChIKey is MDRFAEKLTVZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N9O/c40-26(12-18-4-2-1-3-5-18)35-21-13-20(15-32-16-21)24-14-23-25(17-34-24)38-39-28(23)30-36-27-22(8-11-33-29(27)37-30)19-6-9-31-10-7-19/h1-11,13-17,26,35,40H,12H2,(H,38,39)(H,33,36,37).

What are the key properties of 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol has a molecular weight of 525.58 g/mol, XLogP of 4.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 137282944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).