N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

C180H170BrCl5F14N28O29S9 — CID 159408792

IUPACN-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc3[nH]ccc3c2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Br)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(=O)CN(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(O)c4ccc(Cl)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Cc4ccc(Cl)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Cl)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C25H22ClF2N3O4S.C25H22ClF2N3O3S.C22H24F2N4O4S.C18H16BrF2N3O3S.C18H16ClF2N3O3S.C18H17ClFN3O3S.C18H18ClN3O3S.C18H17F2N3O3S.C18H18FN3O3S/c1-2-9-36(34,35)31-20-8-7-19(27)22(23(20)28)21(32)11-14-10-17-18(13-30-25(17)29-12-14)24(33)15-3-5-16(26)6-4-15;1-2-9-35(33,34)31-21-8-7-20(27)23(24(21)28)22(32)12-16-11-19-17(14-30-25(19)29-13-16)10-15-3-5-18(26)6-4-15;1-4-7-33(31,32)27-17-6-5-16(23)20(21(17)24)18(29)9-13-8-14-15(19(30)12-28(2)3)11-26-22(14)25-10-13;2*1-2-5-28(26,27)24-14-4-3-13(20)16(17(14)21)15(25)7-10-6-11-12(19)9-23-18(11)22-8-10;1-2-7-27(25,26)23-14-4-3-13(20)16(17(14)19)15(24)9-11-8-12-5-6-21-18(12)22-10-11;1-2-7-26(24,25)22-14-3-4-16(19)15(10-14)17(23)9-12-8-13-5-6-20-18(13)21-11-12;1-2-7-27(25,26)23-14-4-3-13(19)16(17(14)20)15(24)9-11-8-12-5-6-21-18(12)22-10-11;1-2-7-26(24,25)22-14-3-4-16(19)15(10-14)17(23)9-12-8-13-5-6-20-18(13)21-11-12/h3-8,10,12-13,24,31,33H,2,9,11H2,1H3,(H,29,30);3-8,11,13-14,31H,2,9-10,12H2,1H3,(H,29,30);5-6,8,10-11,27H,4,7,9,12H2,1-3H3,(H,25,26);2*3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22);3-6,8,10-11,22H,2,7,9H2,1H3,(H,20,21);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22);3-6,8,10-11,22H,2,7,9H2,1H3,(H,20,21)
InChIKeyLOHPXRVDCRWYEV-UHFFFAOYSA-N
MW4001.25 g/mol
LogP36.65
Rot. Bonds70

About N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (PubChem CID 159408792) has the molecular formula C180H170BrCl5F14N28O29S9 and a molecular weight of 4001.25 g/mol. Its IUPAC name is N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
PubChem CID159408792
Molecular FormulaC180H170BrCl5F14N28O29S9
Molecular Weight4001.25 g/mol
Exact Mass3994.76
IUPAC NameN-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc3[nH]ccc3c2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Br)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(=O)CN(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(O)c4ccc(Cl)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Cc4ccc(Cl)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Cl)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C25H22ClF2N3O4S.C25H22ClF2N3O3S.C22H24F2N4O4S.C18H16BrF2N3O3S.C18H16ClF2N3O3S.C18H17ClFN3O3S.C18H18ClN3O3S.C18H17F2N3O3S.C18H18FN3O3S/c1-2-9-36(34,35)31-20-8-7-19(27)22(23(20)28)21(32)11-14-10-17-18(13-30-25(17)29-12-14)24(33)15-3-5-16(26)6-4-15;1-2-9-35(33,34)31-21-8-7-20(27)23(24(21)28)22(32)12-16-11-19-17(14-30-25(19)29-13-16)10-15-3-5-18(26)6-4-15;1-4-7-33(31,32)27-17-6-5-16(23)20(21(17)24)18(29)9-13-8-14-15(19(30)12-28(2)3)11-26-22(14)25-10-13;2*1-2-5-28(26,27)24-14-4-3-13(20)16(17(14)21)15(25)7-10-6-11-12(19)9-23-18(11)22-8-10;1-2-7-27(25,26)23-14-4-3-13(20)16(17(14)19)15(24)9-11-8-12-5-6-21-18(12)22-10-11;1-2-7-26(24,25)22-14-3-4-16(19)15(10-14)17(23)9-12-8-13-5-6-20-18(13)21-11-12;1-2-7-27(25,26)23-14-4-3-13(19)16(17(14)20)15(24)9-11-8-12-5-6-21-18(12)22-10-11;1-2-7-26(24,25)22-14-3-4-16(19)15(10-14)17(23)9-12-8-13-5-6-20-18(13)21-11-12/h3-8,10,12-13,24,31,33H,2,9,11H2,1H3,(H,29,30);3-8,11,13-14,31H,2,9-10,12H2,1H3,(H,29,30);5-6,8,10-11,27H,4,7,9,12H2,1-3H3,(H,25,26);2*3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22);3-6,8,10-11,22H,2,7,9H2,1H3,(H,20,21);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22);3-6,8,10-11,22H,2,7,9H2,1H3,(H,20,21)
InChIKeyLOHPXRVDCRWYEV-UHFFFAOYSA-N
XLogP36.65
TPSA867.82 Ų
H-Bond Donors19
H-Bond Acceptors39
Rotatable Bonds70
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004001.25
LogP ≤ 536.65
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1039

Analyze N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide with MolForge

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Related Compounds

N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-dichloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;1-[2,6-difluoro-3-(propylsulfamoylamino)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(2,2,2-trifluoroethylsulfonylamino)benzamide;N-[3-[2-[2-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-[2-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorophenyl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine;N-[3-[2-(2-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 158207923
(3-amino-2,6-difluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;benzyl N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;benzyl N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;benzyl N-(2,4-difluoro-3-formylphenyl)carbamate;benzyl N-(2,4-difluorophenyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-3,5-difluorobenzenesulfonamide;2,4-difluoroaniline;3,5-difluorobenzenesulfonyl chloride
CID 157053457
5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;(4-chlorophenyl)boronic acid;bis(N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide);2,6-difluoro-3-(propylsulfonylamino)benzoic acid;2,6-difluoro-3-(propylsulfonylamino)benzoyl chloride
CID 157202983
(6-amino-3-pyridinyl)-[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methanol;1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridine-3-carbaldehyde;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-bromopyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 157284201
(3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;6-chloro-3-(dibenzylamino)-2-fluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[3-(dibenzylamino)-2,6-difluorophenyl]-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;N,N-dibenzyl-4-chloro-2-fluoroaniline;2,4-difluoroaniline;N-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]ethanesulfonamide;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157326374
5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[1-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 157562255
benzyl 3-amino-6-chloro-2-fluorobenzoate;benzyl 6-chloro-2-fluoro-3-(propylsulfonylamino)benzoate;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;4-chloro-2-fluoroaniline;6-chloro-2-fluoro-3-(propylsulfonylamino)benzoic acid;2-fluoro-3-(propylsulfonylamino)benzoic acid;2-fluoro-3-(propylsulfonylamino)benzoyl chloride;methane
CID 157608820
2,4-difluoroaniline;N-(2,4-difluoro-3-formylphenyl)propane-2-sulfonamide;N-[2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]propane-2-sulfonamide;N-(2,4-difluorophenyl)propane-2-sulfonamide;N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide;methane;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157609710
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;N-[2,4-difluoro-3-[hydroxy-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-(4-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 157958025
[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;(4-chlorophenyl)boronic acid;[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-(propylsulfonylmethyl)phenyl]methanone;2,6-dichlorobenzoyl chloride;2,6-difluoro-3-(propylsulfonylmethyl)benzoic acid
CID 157987660
5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-(2-fluoro-3-formylphenyl)propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
CID 158519826
5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-fluorophenyl]propane-1-sulfonamide;N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide;N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide;2-fluoro-3-(propylsulfonylamino)benzoic acid
CID 159680154

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (CID 159408792) is N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc3[nH]ccc3c2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Br)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(=O)CN(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(O)c4ccc(Cl)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Cc4ccc(Cl)cc4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(Cl)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.
What is the InChIKey of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is LOHPXRVDCRWYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N3O4S.C25H22ClF2N3O3S.C22H24F2N4O4S.C18H16BrF2N3O3S.C18H16ClF2N3O3S.C18H17ClFN3O3S.C18H18ClN3O3S.C18H17F2N3O3S.C18H18FN3O3S/c1-2-9-36(34,35)31-20-8-7-19(27)22(23(20)28)21(32)11-14-10-17-18(13-30-25(17)29-12-14)24(33)15-3-5-16(26)6-4-15;1-2-9-35(33,34)31-21-8-7-20(27)23(24(21)28)22(32)12-16-11-19-17(14-30-25(19)29-13-16)10-15-3-5-18(26)6-4-15;1-4-7-33(31,32)27-17-6-5-16(23)20(21(17)24)18(29)9-13-8-14-15(19(30)12-28(2)3)11-26-22(14)25-10-13;2*1-2-5-28(26,27)24-14-4-3-13(20)16(17(14)21)15(25)7-10-6-11-12(19)9-23-18(11)22-8-10;1-2-7-27(25,26)23-14-4-3-13(20)16(17(14)19)15(24)9-11-8-12-5-6-21-18(12)22-10-11;1-2-7-26(24,25)22-14-3-4-16(19)15(10-14)17(23)9-12-8-13-5-6-20-18(13)21-11-12;1-2-7-27(25,26)23-14-4-3-13(19)16(17(14)20)15(24)9-11-8-12-5-6-21-18(12)22-10-11;1-2-7-26(24,25)22-14-3-4-16(19)15(10-14)17(23)9-12-8-13-5-6-20-18(13)21-11-12/h3-8,10,12-13,24,31,33H,2,9,11H2,1H3,(H,29,30);3-8,11,13-14,31H,2,9-10,12H2,1H3,(H,29,30);5-6,8,10-11,27H,4,7,9,12H2,1-3H3,(H,25,26);2*3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22);3-6,8,10-11,22H,2,7,9H2,1H3,(H,20,21);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22);3-6,8,10-11,22H,2,7,9H2,1H3,(H,20,21).
What are the key properties of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 4001.25 g/mol, XLogP of 36.65, 70 rotatable bonds, 19 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-[3-[(4-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-chloro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[3-[2-[3-[2-(dimethylamino)acetyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[4-fluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 159408792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).