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

C30H23N9O — CID 137130536

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

2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol (PubChem CID 137130536) 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-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol
• PubChem CID: 137130536
• Molecular Formula: C30H23N9O
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.20
• IUPAC Name: 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol
• SMILES: OC(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H23N9O/c40-26(10-18-4-2-1-3-5-18)35-22-11-20(13-32-15-22)21-12-23-28(38-39-29(23)34-14-21)30-36-25-17-33-16-24(27(25)37-30)19-6-8-31-9-7-19/h1-9,11-17,26,35,40H,10H2,(H,36,37)(H,34,38,39)
• InChIKey: LBBCGIMZPWATCC-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-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol?

The IUPAC name of 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol (CID 137130536) is 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol.

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

The canonical SMILES for 2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol is OC(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2)c1.

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

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

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

2-phenyl-1-[[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]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-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 137130536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).