N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide

C65H43F7N10O11S2 — CID 159507407

About N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide

N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide (PubChem CID 159507407) has the molecular formula C65H43F7N10O11S2 and a molecular weight of 1337.24 g/mol. Its IUPAC name is N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide.

Molecular Properties

• Compound Name: N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide
• PubChem CID: 159507407
• Molecular Formula: C65H43F7N10O11S2
• Molecular Weight: 1337.24 g/mol
• Exact Mass: 1336.24
• IUPAC Name: N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide
• SMILES: CC(=O)N(c1ccc(F)c(C(=O)c2cn(C(C)=O)c3ncc(-c4ccc5c(cnn5C(C)=O)c4)cc23)c1F)S(=O)(=O)c1cc(C)ccc1F.CC(=O)n1cc(C(=O)c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2cc(-c3ccc4c(cnn4C(C)=O)c3)cnc21
• InChI: InChI=1S/C34H24F3N5O6S.C31H19F4N5O5S/c1-17-5-7-26(35)30(11-17)49(47,48)42(20(4)45)29-10-8-27(36)31(32(29)37)33(46)25-16-40(18(2)43)34-24(25)13-22(14-38-34)21-6-9-28-23(12-21)15-39-41(28)19(3)44;1-15(41)39-14-22(21-10-18(12-36-31(21)39)17-3-8-26-19(9-17)13-37-40(26)16(2)42)30(43)28-24(34)6-7-25(29(28)35)38-46(44,45)27-11-20(32)4-5-23(27)33/h5-16H,1-4H3;3-14,38H,1-2H3
• InChIKey: MAECSPWRYWVYDI-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 274.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.24
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide?

The IUPAC name of N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide (CID 159507407) is N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide.

What is the SMILES notation for N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide?

The canonical SMILES for N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide is CC(=O)N(c1ccc(F)c(C(=O)c2cn(C(C)=O)c3ncc(-c4ccc5c(cnn5C(C)=O)c4)cc23)c1F)S(=O)(=O)c1cc(C)ccc1F.CC(=O)n1cc(C(=O)c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2cc(-c3ccc4c(cnn4C(C)=O)c3)cnc21.

What is the InChIKey of N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide?

The InChIKey is MAECSPWRYWVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F3N5O6S.C31H19F4N5O5S/c1-17-5-7-26(35)30(11-17)49(47,48)42(20(4)45)29-10-8-27(36)31(32(29)37)33(46)25-16-40(18(2)43)34-24(25)13-22(14-38-34)21-6-9-28-23(12-21)15-39-41(28)19(3)44;1-15(41)39-14-22(21-10-18(12-36-31(21)39)17-3-8-26-19(9-17)13-37-40(26)16(2)42)30(43)28-24(34)6-7-25(29(28)35)38-46(44,45)27-11-20(32)4-5-23(27)33/h5-16H,1-4H3;3-14,38H,1-2H3.

What are the key properties of N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide?

N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide has a molecular weight of 1337.24 g/mol, XLogP of 12.03, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-[1-acetyl-5-(1-acetylindazol-5-yl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-N-(2-fluoro-5-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 159507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).