N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

C171H162Br2F25N27O28S9 — CID 161379146

IUPACN-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)cc(C(=O)Cc2cnc3[nH]ccc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C(F)F)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(CC)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(COC)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(F)c3c2)c1F.Cc1[nH]c2ncc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc2c1C.Cc1c[nH]c2ncc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12.Cc1cc2cc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cnc2[nH]1.O=C(Cc1cnc2[nH]c(Br)c(Br)c2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F
InChIInChI=1S/C20H20F3N3O3S.C20H21F2N3O4S.C20H21F2N3O3S.C19H17F4N3O3S.2C19H18F3N3O3S.C18H14Br2F3N3O3S.C18H16F3N3O3S.C18H17F2N3O3S/c1-11-12(2)25-20-14(11)8-13(10-24-20)9-17(27)18-15(22)4-5-16(19(18)23)26-30(28,29)7-3-6-21;1-3-6-30(27,28)25-16-5-4-15(21)18(19(16)22)17(26)8-12-7-13-9-14(11-29-2)24-20(13)23-10-12;1-3-7-29(27,28)25-16-6-5-15(21)18(19(16)22)17(26)9-12-8-13-10-14(4-2)24-20(13)23-11-12;1-2-5-30(28,29)26-13-4-3-12(20)16(17(13)21)15(27)7-10-6-11-8-14(18(22)23)25-19(11)24-9-10;1-11-9-23-19-13(11)7-12(10-24-19)8-16(26)17-14(21)3-4-15(18(17)22)25-29(27,28)6-2-5-20;1-11-7-13-8-12(10-23-19(13)24-11)9-16(26)17-14(21)3-4-15(18(17)22)25-29(27,28)6-2-5-20;19-15-10-6-9(8-24-18(10)25-17(15)20)7-13(27)14-11(22)2-3-12(16(14)23)26-30(28,29)5-1-4-21;1-2-5-28(26,27)24-14-4-3-12(19)16(17(14)21)15(25)7-10-6-11-13(20)9-23-18(11)22-8-10;1-2-5-27(25,26)23-15-9-13(19)8-14(17(15)20)16(24)7-11-6-12-3-4-21-18(12)22-10-11/h4-5,8,10,26H,3,6-7,9H2,1-2H3,(H,24,25);4-5,7,9-10,25H,3,6,8,11H2,1-2H3,(H,23,24);5-6,8,10-11,25H,3-4,7,9H2,1-2H3,(H,23,24);3-4,6,8-9,18,26H,2,5,7H2,1H3,(H,24,25);3-4,7,9-10,25H,2,5-6,8H2,1H3,(H,23,24);3-4,7-8,10,25H,2,5-6,9H2,1H3,(H,23,24);2-3,6,8,26H,1,4-5,7H2,(H,24,25);3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-4,6,8-10,23H,2,5,7H2,1H3,(H,21,22)
InChIKeyVRMHHHZKSRQDII-UHFFFAOYSA-N
MW3966.70 g/mol
LogP35.11
Rot. Bonds71

About N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 161379146) has the molecular formula C171H162Br2F25N27O28S9 and a molecular weight of 3966.70 g/mol. Its IUPAC name is N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID161379146
Molecular FormulaC171H162Br2F25N27O28S9
Molecular Weight3966.70 g/mol
Exact Mass3961.75
IUPAC NameN-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)cc(C(=O)Cc2cnc3[nH]ccc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C(F)F)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(CC)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(COC)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(F)c3c2)c1F.Cc1[nH]c2ncc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc2c1C.Cc1c[nH]c2ncc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12.Cc1cc2cc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cnc2[nH]1.O=C(Cc1cnc2[nH]c(Br)c(Br)c2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F
InChIInChI=1S/C20H20F3N3O3S.C20H21F2N3O4S.C20H21F2N3O3S.C19H17F4N3O3S.2C19H18F3N3O3S.C18H14Br2F3N3O3S.C18H16F3N3O3S.C18H17F2N3O3S/c1-11-12(2)25-20-14(11)8-13(10-24-20)9-17(27)18-15(22)4-5-16(19(18)23)26-30(28,29)7-3-6-21;1-3-6-30(27,28)25-16-5-4-15(21)18(19(16)22)17(26)8-12-7-13-9-14(11-29-2)24-20(13)23-10-12;1-3-7-29(27,28)25-16-6-5-15(21)18(19(16)22)17(26)9-12-8-13-10-14(4-2)24-20(13)23-11-12;1-2-5-30(28,29)26-13-4-3-12(20)16(17(13)21)15(27)7-10-6-11-8-14(18(22)23)25-19(11)24-9-10;1-11-9-23-19-13(11)7-12(10-24-19)8-16(26)17-14(21)3-4-15(18(17)22)25-29(27,28)6-2-5-20;1-11-7-13-8-12(10-23-19(13)24-11)9-16(26)17-14(21)3-4-15(18(17)22)25-29(27,28)6-2-5-20;19-15-10-6-9(8-24-18(10)25-17(15)20)7-13(27)14-11(22)2-3-12(16(14)23)26-30(28,29)5-1-4-21;1-2-5-28(26,27)24-14-4-3-12(19)16(17(14)21)15(25)7-10-6-11-13(20)9-23-18(11)22-8-10;1-2-5-27(25,26)23-15-9-13(19)8-14(17(15)20)16(24)7-11-6-12-3-4-21-18(12)22-10-11/h4-5,8,10,26H,3,6-7,9H2,1-2H3,(H,24,25);4-5,7,9-10,25H,3,6,8,11H2,1-2H3,(H,23,24);5-6,8,10-11,25H,3-4,7,9H2,1-2H3,(H,23,24);3-4,6,8-9,18,26H,2,5,7H2,1H3,(H,24,25);3-4,7,9-10,25H,2,5-6,8H2,1H3,(H,23,24);3-4,7-8,10,25H,2,5-6,9H2,1H3,(H,23,24);2-3,6,8,26H,1,4-5,7H2,(H,24,25);3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-4,6,8-10,23H,2,5,7H2,1H3,(H,21,22)
InChIKeyVRMHHHZKSRQDII-UHFFFAOYSA-N
XLogP35.11
TPSA836.51 Ų
H-Bond Donors18
H-Bond Acceptors37
Rotatable Bonds71
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003966.70
LogP ≤ 535.11
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1037

Analyze N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 161379146) is N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)cc(C(=O)Cc2cnc3[nH]ccc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C(F)F)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(CC)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(COC)cc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(F)c3c2)c1F.Cc1[nH]c2ncc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc2c1C.Cc1c[nH]c2ncc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12.Cc1cc2cc(CC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cnc2[nH]1.O=C(Cc1cnc2[nH]c(Br)c(Br)c2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F.
What is the InChIKey of N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is VRMHHHZKSRQDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S.C20H21F2N3O4S.C20H21F2N3O3S.C19H17F4N3O3S.2C19H18F3N3O3S.C18H14Br2F3N3O3S.C18H16F3N3O3S.C18H17F2N3O3S/c1-11-12(2)25-20-14(11)8-13(10-24-20)9-17(27)18-15(22)4-5-16(19(18)23)26-30(28,29)7-3-6-21;1-3-6-30(27,28)25-16-5-4-15(21)18(19(16)22)17(26)8-12-7-13-9-14(11-29-2)24-20(13)23-10-12;1-3-7-29(27,28)25-16-6-5-15(21)18(19(16)22)17(26)9-12-8-13-10-14(4-2)24-20(13)23-11-12;1-2-5-30(28,29)26-13-4-3-12(20)16(17(13)21)15(27)7-10-6-11-8-14(18(22)23)25-19(11)24-9-10;1-11-9-23-19-13(11)7-12(10-24-19)8-16(26)17-14(21)3-4-15(18(17)22)25-29(27,28)6-2-5-20;1-11-7-13-8-12(10-23-19(13)24-11)9-16(26)17-14(21)3-4-15(18(17)22)25-29(27,28)6-2-5-20;19-15-10-6-9(8-24-18(10)25-17(15)20)7-13(27)14-11(22)2-3-12(16(14)23)26-30(28,29)5-1-4-21;1-2-5-28(26,27)24-14-4-3-12(19)16(17(14)21)15(25)7-10-6-11-13(20)9-23-18(11)22-8-10;1-2-5-27(25,26)23-15-9-13(19)8-14(17(15)20)16(24)7-11-6-12-3-4-21-18(12)22-10-11/h4-5,8,10,26H,3,6-7,9H2,1-2H3,(H,24,25);4-5,7,9-10,25H,3,6,8,11H2,1-2H3,(H,23,24);5-6,8,10-11,25H,3-4,7,9H2,1-2H3,(H,23,24);3-4,6,8-9,18,26H,2,5,7H2,1H3,(H,24,25);3-4,7,9-10,25H,2,5-6,8H2,1H3,(H,23,24);3-4,7-8,10,25H,2,5-6,9H2,1H3,(H,23,24);2-3,6,8,26H,1,4-5,7H2,(H,24,25);3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-4,6,8-10,23H,2,5,7H2,1H3,(H,21,22).
What are the key properties of N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 3966.70 g/mol, XLogP of 35.11, 71 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,3-dibromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,5-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]-3-fluoropropane-1-sulfonamide;N-[3-[2-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 161379146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).