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

C28H24N8O — CID 137041633

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137041633) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137041633
• Molecular Formula: C28H24N8O
• Molecular Weight: 488.56 g/mol
• Exact Mass: 488.21
• IUPAC Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: c1cncc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)nc45)[nH]c23)c1
• InChI: InChI=1S/C28H24N8O/c1-2-6-19(7-3-1)37-20-13-18(15-30-16-20)22-8-9-23-25(32-22)26(36-35-23)28-33-24-21(10-12-31-27(24)34-28)17-5-4-11-29-14-17/h4-5,8-16,19H,1-3,6-7H2,(H,35,36)(H,31,33,34)
• InChIKey: LEJOBNMVRSCSNV-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 118.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine (CID 137041633) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is c1cncc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)nc45)[nH]c23)c1.

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

The InChIKey is LEJOBNMVRSCSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-2-6-19(7-3-1)37-20-13-18(15-30-16-20)22-8-9-23-25(32-22)26(36-35-23)28-33-24-21(10-12-31-27(24)34-28)17-5-4-11-29-14-17/h4-5,8-16,19H,1-3,6-7H2,(H,35,36)(H,31,33,34).

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 488.56 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-pyridin-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137041633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).