7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

C36H37FN8O2 — CID 136938098

About 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 136938098) has the molecular formula C36H37FN8O2 and a molecular weight of 632.74 g/mol. Its IUPAC name is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 136938098
• Molecular Formula: C36H37FN8O2
• Molecular Weight: 632.74 g/mol
• Exact Mass: 632.30
• IUPAC Name: 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C36H37FN8O2/c37-27-17-25(18-28(21-27)46-15-13-44-9-1-2-10-44)30-7-8-39-35-33(30)40-36(41-35)34-31-20-24(5-6-32(31)42-43-34)26-19-29(23-38-22-26)47-16-14-45-11-3-4-12-45/h5-8,17-23H,1-4,9-16H2,(H,42,43)(H,39,40,41)
• InChIKey: GSWFIKPAPMVHHY-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 108.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.74
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 136938098) is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

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

The canonical SMILES for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)[nH]c23)c1.

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

The InChIKey is GSWFIKPAPMVHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37FN8O2/c37-27-17-25(18-28(21-27)46-15-13-44-9-1-2-10-44)30-7-8-39-35-33(30)40-36(41-35)34-31-20-24(5-6-32(31)42-43-34)26-19-29(23-38-22-26)47-16-14-45-11-3-4-12-45/h5-8,17-23H,1-4,9-16H2,(H,42,43)(H,39,40,41).

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

7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 632.74 g/mol, XLogP of 6.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136938098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).