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

C29H25FN8O — CID 137042389

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

3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137042389) has the molecular formula C29H25FN8O and a molecular weight of 520.57 g/mol. Its IUPAC name is 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137042389
• Molecular Formula: C29H25FN8O
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.21
• IUPAC Name: 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: Fc1ccccc1-c1ccnc2nc(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)nc34)[nH]c12
• InChI: InChI=1S/C29H25FN8O/c30-22-6-2-1-5-20(22)21-9-10-32-28-25(21)34-29(35-28)27-26-24(36-37-27)8-7-23(33-26)18-15-19(17-31-16-18)39-14-13-38-11-3-4-12-38/h1-2,5-10,15-17H,3-4,11-14H2,(H,36,37)(H,32,34,35)
• InChIKey: WLGOKZGFRAHQSD-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 108.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137042389) is 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is Fc1ccccc1-c1ccnc2nc(-c3n[nH]c4ccc(-c5cncc(OCCN6CCCC6)c5)nc34)[nH]c12.

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

The InChIKey is WLGOKZGFRAHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O/c30-22-6-2-1-5-20(22)21-9-10-32-28-25(21)34-29(35-28)27-26-24(36-37-27)8-7-23(33-26)18-15-19(17-31-16-18)39-14-13-38-11-3-4-12-38/h1-2,5-10,15-17H,3-4,11-14H2,(H,36,37)(H,32,34,35).

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

3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 520.57 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137042389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).