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

C32H21F2N7O — CID 137134661

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

N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 137134661) has the molecular formula C32H21F2N7O and a molecular weight of 557.56 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 137134661
• Molecular Formula: C32H21F2N7O
• Molecular Weight: 557.56 g/mol
• Exact Mass: 557.18
• IUPAC Name: N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C32H21F2N7O/c33-21-8-4-7-19(12-21)23-9-10-36-31-29(23)38-32(39-31)30-25-14-24(26(34)15-27(25)40-41-30)20-13-22(17-35-16-20)37-28(42)11-18-5-2-1-3-6-18/h1-10,12-17H,11H2,(H,37,42)(H,40,41)(H,36,38,39)
• InChIKey: YTZCMVRZQHRSBA-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.56
LogP ≤ 5	6.69
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-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 137134661) is N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

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

The canonical SMILES for N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)n[nH]c3cc2F)c1.

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

The InChIKey is YTZCMVRZQHRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F2N7O/c33-21-8-4-7-19(12-21)23-9-10-36-31-29(23)38-32(39-31)30-25-14-24(26(34)15-27(25)40-41-30)20-13-22(17-35-16-20)37-28(42)11-18-5-2-1-3-6-18/h1-10,12-17H,11H2,(H,37,42)(H,40,41)(H,36,38,39).

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

N-[5-[6-fluoro-3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 557.56 g/mol, XLogP of 6.69, 6 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-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 137134661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).