N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide

C57H34F8N10O7S2 — CID 160617622

About N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide

N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 160617622) has the molecular formula C57H34F8N10O7S2 and a molecular weight of 1187.08 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide
• PubChem CID: 160617622
• Molecular Formula: C57H34F8N10O7S2
• Molecular Weight: 1187.08 g/mol
• Exact Mass: 1186.19
• IUPAC Name: N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide
• SMILES: CCC(=O)n1ncc2cc(-c3cnc4[nH]cc(C(=O)c5c(F)ccc(NS(=O)(=O)c6cc(F)ccc6F)c5F)c4c3)ccc21.O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncc(-c3ccc4[nH]ncc4c3)cc12
• InChI: InChI=1S/C30H19F4N5O4S.C27H15F4N5O3S/c1-2-26(40)39-24-8-3-15(9-17(24)13-37-39)16-10-19-20(14-36-30(19)35-12-16)29(41)27-22(33)6-7-23(28(27)34)38-44(42,43)25-11-18(31)4-5-21(25)32;28-16-2-3-19(29)23(9-16)40(38,39)36-22-6-4-20(30)24(25(22)31)26(37)18-12-33-27-17(18)8-14(10-32-27)13-1-5-21-15(7-13)11-34-35-21/h3-14,38H,2H2,1H3,(H,35,36);1-12,36H,(H,32,33)(H,34,35)
• InChIKey: RGHIHDMINGXELL-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 247.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.08
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide (CID 160617622) is N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide is CCC(=O)n1ncc2cc(-c3cnc4[nH]cc(C(=O)c5c(F)ccc(NS(=O)(=O)c6cc(F)ccc6F)c5F)c4c3)ccc21.O=C(c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncc(-c3ccc4[nH]ncc4c3)cc12.

What is the InChIKey of N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide?

The InChIKey is RGHIHDMINGXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F4N5O4S.C27H15F4N5O3S/c1-2-26(40)39-24-8-3-15(9-17(24)13-37-39)16-10-19-20(14-36-30(19)35-12-16)29(41)27-22(33)6-7-23(28(27)34)38-44(42,43)25-11-18(31)4-5-21(25)32;28-16-2-3-19(29)23(9-16)40(38,39)36-22-6-4-20(30)24(25(22)31)26(37)18-12-33-27-17(18)8-14(10-32-27)13-1-5-21-15(7-13)11-34-35-21/h3-14,38H,2H2,1H3,(H,35,36);1-12,36H,(H,32,33)(H,34,35).

What are the key properties of N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide?

N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 1187.08 g/mol, XLogP of 11.91, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[5-(1H-indazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[5-(1-propanoylindazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 160617622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).