2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine

C29H24FN7O — CID 137055297

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137055297) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137055297
• Molecular Formula: C29H24FN7O
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.20
• IUPAC Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1cccc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OC7CCCCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C29H24FN7O/c30-20-6-4-5-17(11-20)23-9-10-32-28-25(23)34-29(35-28)26-24-13-19(15-33-27(24)37-36-26)18-12-22(16-31-14-18)38-21-7-2-1-3-8-21/h4-6,9-16,21H,1-3,7-8H2,(H,32,34,35)(H,33,36,37)
• InChIKey: DXZOXDXWBIRQRH-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine (CID 137055297) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine is Fc1cccc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(OC7CCCCC7)c6)cc45)[nH]c23)c1.

What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is DXZOXDXWBIRQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-20-6-4-5-17(11-20)23-9-10-32-28-25(23)34-29(35-28)26-24-13-19(15-33-27(24)37-36-26)18-12-22(16-31-14-18)38-21-7-2-1-3-8-21/h4-6,9-16,21H,1-3,7-8H2,(H,32,34,35)(H,33,36,37).

What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine?

2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 505.56 g/mol, XLogP of 6.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137055297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).