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

C35H27F2N7O3S — CID 161156909

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

N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 161156909) has the molecular formula C35H27F2N7O3S and a molecular weight of 663.71 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 161156909
• Molecular Formula: C35H27F2N7O3S
• Molecular Weight: 663.71 g/mol
• Exact Mass: 663.19
• IUPAC Name: N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C35H27F2N7O3S/c1-48(46,47)10-8-21-11-23(14-25(36)12-21)27-7-9-39-34-32(27)41-35(42-34)33-28-16-22(17-29(37)31(28)43-44-33)24-15-26(19-38-18-24)40-30(45)13-20-5-3-2-4-6-20/h2-7,9,11-12,14-19H,8,10,13H2,1H3,(H,40,45)(H,43,44)(H,39,41,42)
• InChIKey: UPKIZESSARUJFL-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 146.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.71
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 161156909) is N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

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

The canonical SMILES for N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1.

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

The InChIKey is UPKIZESSARUJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27F2N7O3S/c1-48(46,47)10-8-21-11-23(14-25(36)12-21)27-7-9-39-34-32(27)41-35(42-34)33-28-16-22(17-29(37)31(28)43-44-33)24-15-26(19-38-18-24)40-30(45)13-20-5-3-2-4-6-20/h2-7,9,11-12,14-19H,8,10,13H2,1H3,(H,40,45)(H,43,44)(H,39,41,42).

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

N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 663.71 g/mol, XLogP of 6.28, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 161156909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).