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

C27H23N9O — CID 137292851

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

cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol (PubChem CID 137292851) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol.

Molecular Properties

• Compound Name: cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol
• PubChem CID: 137292851
• Molecular Formula: C27H23N9O
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.20
• IUPAC Name: cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol
• SMILES: OC(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCC1
• InChI: InChI=1S/C27H23N9O/c37-27(15-4-3-5-15)32-17-8-16(10-28-11-17)21-9-18-22(14-31-21)35-36-25(18)26-33-23-13-29-12-19(24(23)34-26)20-6-1-2-7-30-20/h1-2,6-15,27,32,37H,3-5H2,(H,33,34)(H,35,36)
• InChIKey: QTACMSRONYAWHJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 141.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	4.55
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 cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol?

The IUPAC name of cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol (CID 137292851) is cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol.

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

The canonical SMILES for cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol is OC(Nc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCC1.

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

The InChIKey is QTACMSRONYAWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c37-27(15-4-3-5-15)32-17-8-16(10-28-11-17)21-9-18-22(14-31-21)35-36-25(18)26-33-23-13-29-12-19(24(23)34-26)20-6-1-2-7-30-20/h1-2,6-15,27,32,37H,3-5H2,(H,33,34)(H,35,36).

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

cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol has a molecular weight of 489.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol is sourced from PubChem (CID 137292851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).