N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

C50H49F7N8O8S2 — CID 167597203

About N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 167597203) has the molecular formula C50H49F7N8O8S2 and a molecular weight of 1087.11 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
• PubChem CID: 167597203
• Molecular Formula: C50H49F7N8O8S2
• Molecular Weight: 1087.11 g/mol
• Exact Mass: 1086.30
• IUPAC Name: N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)C2=CCc3ncc(N4CC(C)OC(C)C4)cc32)c1F.O=C(c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12
• InChI: InChI=1S/C26H22F5N5O4S.C24H27F2N3O4S/c27-19-2-3-20(35-41(38,39)10-5-26(29,30)31)23(28)22(19)24(37)18-14-34-25-17(18)11-16(13-33-25)15-1-4-21(32-12-15)36-6-8-40-9-7-36;1-4-9-34(31,32)28-21-8-6-19(25)22(23(21)26)24(30)17-5-7-20-18(17)10-16(11-27-20)29-12-14(2)33-15(3)13-29/h1-4,11-14,35H,5-10H2,(H,33,34);5-6,8,10-11,14-15,28H,4,7,9,12-13H2,1-3H3
• InChIKey: JFUGRIXRWMSHIF-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 205.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.11
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 167597203) is N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)C2=CCc3ncc(N4CC(C)OC(C)C4)cc32)c1F.O=C(c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)cc12.

What is the InChIKey of N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

The InChIKey is JFUGRIXRWMSHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F5N5O4S.C24H27F2N3O4S/c27-19-2-3-20(35-41(38,39)10-5-26(29,30)31)23(28)22(19)24(37)18-14-34-25-17(18)11-16(13-33-25)15-1-4-21(32-12-15)36-6-8-40-9-7-36;1-4-9-34(31,32)28-21-8-6-19(25)22(23(21)26)24(30)17-5-7-20-18(17)10-16(11-27-20)29-12-14(2)33-15(3)13-29/h1-4,11-14,35H,5-10H2,(H,33,34);5-6,8,10-11,14-15,28H,4,7,9,12-13H2,1-3H3.

What are the key properties of N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?

N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 1087.11 g/mol, XLogP of 8.61, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[3-[3-(2,6-dimethylmorpholin-4-yl)-7H-cyclopenta[b]pyridine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 167597203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).