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

C37H32FN7O2 — CID 136937819

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

7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 136937819) has the molecular formula C37H32FN7O2 and a molecular weight of 625.71 g/mol. Its IUPAC name is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-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-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 136937819
• Molecular Formula: C37H32FN7O2
• Molecular Weight: 625.71 g/mol
• Exact Mass: 625.26
• IUPAC Name: 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C37H32FN7O2/c38-28-16-26(17-29(20-28)46-15-14-45-12-4-5-13-45)31-10-11-40-36-34(31)41-37(42-36)35-32-19-25(8-9-33(32)43-44-35)27-18-30(22-39-21-27)47-23-24-6-2-1-3-7-24/h1-3,6-11,16-22H,4-5,12-15,23H2,(H,43,44)(H,40,41,42)
• InChIKey: GXDJVKDTKWNHPS-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 104.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.71
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-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-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 136937819) is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-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-phenylmethoxy-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-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)[nH]c23)c1.

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

The InChIKey is GXDJVKDTKWNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32FN7O2/c38-28-16-26(17-29(20-28)46-15-14-45-12-4-5-13-45)31-10-11-40-36-34(31)41-37(42-36)35-32-19-25(8-9-33(32)43-44-35)27-18-30(22-39-21-27)47-23-24-6-2-1-3-7-24/h1-3,6-11,16-22H,4-5,12-15,23H2,(H,43,44)(H,40,41,42).

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

7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 625.71 g/mol, XLogP of 7.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).