N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C30H23F2N7O — CID 137134733

About N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137134733) has the molecular formula C30H23F2N7O and a molecular weight of 535.56 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 137134733
• Molecular Formula: C30H23F2N7O
• Molecular Weight: 535.56 g/mol
• Exact Mass: 535.19
• IUPAC Name: N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccccc6F)c5[nH]4)n[nH]c3cc2F)c1)C1CCCC1
• InChI: InChI=1S/C30H23F2N7O/c31-23-8-4-3-7-19(23)20-9-10-34-28-26(20)36-29(37-28)27-22-12-21(24(32)13-25(22)38-39-27)17-11-18(15-33-14-17)35-30(40)16-5-1-2-6-16/h3-4,7-16H,1-2,5-6H2,(H,35,40)(H,38,39)(H,34,36,37)
• InChIKey: QUHKEBUERRLQOY-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.56
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137134733) is N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2cc3c(-c4nc5nccc(-c6ccccc6F)c5[nH]4)n[nH]c3cc2F)c1)C1CCCC1.

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

The InChIKey is QUHKEBUERRLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N7O/c31-23-8-4-3-7-19(23)20-9-10-34-28-26(20)36-29(37-28)27-22-12-21(24(32)13-25(22)38-39-27)17-11-18(15-33-14-17)35-30(40)16-5-1-2-6-16/h3-4,7-16H,1-2,5-6H2,(H,35,40)(H,38,39)(H,34,36,37).

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

N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 535.56 g/mol, XLogP of 6.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137134733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).