7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

C30H25F2N7 — CID 137134681

About 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine

7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137134681) has the molecular formula C30H25F2N7 and a molecular weight of 521.58 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137134681
• Molecular Formula: C30H25F2N7
• Molecular Weight: 521.58 g/mol
• Exact Mass: 521.21
• IUPAC Name: 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1cccc(-c2ccnc3nc(-c4n[nH]c5cc(F)c(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C30H25F2N7/c31-21-6-4-5-19(12-21)22-7-8-34-29-27(22)35-30(36-29)28-24-13-23(25(32)14-26(24)37-38-28)20-11-18(15-33-16-20)17-39-9-2-1-3-10-39/h4-8,11-16H,1-3,9-10,17H2,(H,37,38)(H,34,35,36)
• InChIKey: GHLTWIXFQPEIRG-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.58
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 137134681) is 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1cccc(-c2ccnc3nc(-c4n[nH]c5cc(F)c(-c6cncc(CN7CCCCC7)c6)cc45)[nH]c23)c1.

What is the InChIKey of 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is GHLTWIXFQPEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N7/c31-21-6-4-5-19(12-21)22-7-8-34-29-27(22)35-30(36-29)28-24-13-23(25(32)14-26(24)37-38-28)20-11-18(15-33-16-20)17-39-9-2-1-3-10-39/h4-8,11-16H,1-3,9-10,17H2,(H,37,38)(H,34,35,36).

What are the key properties of 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?

7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 521.58 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137134681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).