trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide

C118H98F9N24Na3O21S6 — CID 165035997

IUPACtrisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.CCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.CCCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(S(N)(=O)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1ccc(S(N)(=O)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3[C@H](C)c1ccc(S(N)(=O)=O)cc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C22H20F2N4O4S.C21H18F2N4O4S.C20H16F2N4O4S.C19H18N4O3S.C18H14F2N4O3S.C18H15FN4O3S.3Na/c1-3-4-19(29)27-33(31,32)14-8-17(23)16(18(24)9-14)11-28-20(30)7-13-10-25-22-15(21(13)28)6-5-12(2)26-22;1-3-18(28)26-32(30,31)13-7-16(22)15(17(23)8-13)10-27-19(29)6-12-9-24-21-14(20(12)27)5-4-11(2)25-21;1-10-3-4-14-19-12(8-23-20(14)24-10)5-18(28)26(19)9-15-16(21)6-13(7-17(15)22)31(29,30)25-11(2)27;1-11-3-8-16-18-14(10-21-19(16)22-11)9-17(24)23(18)12(2)13-4-6-15(7-5-13)27(20,25)26;1-9-2-3-12-17-10(7-22-18(12)23-9)4-16(25)24(17)8-13-14(19)5-11(6-15(13)20)28(21,26)27;1-10-2-5-14-17-12(8-21-18(14)22-10)6-16(24)23(17)9-11-3-4-13(7-15(11)19)27(20,25)26;;;/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,27,29);4-5,7-9H,3,6,10H2,1-2H3,(H,26,28);3-4,6-8H,5,9H2,1-2H3,(H,25,27);3-8,10,12H,9H2,1-2H3,(H2,20,25,26);2-3,5-7H,4,8H2,1H3,(H2,21,26,27);2-5,7-8H,6,9H2,1H3,(H2,20,25,26);;;/q;;;;;;3*+1/p-3/t;;;12-;;;;;/m...1...../s1
InChIKeyNJSUAQOVBYVACU-RZGVDODJSA-K
MW2620.58 g/mol
LogP6.93
Rot. Bonds24

About trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide

trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide (PubChem CID 165035997) has the molecular formula C118H98F9N24Na3O21S6 and a molecular weight of 2620.58 g/mol. Its IUPAC name is trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Nametrisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide
PubChem CID165035997
Molecular FormulaC118H98F9N24Na3O21S6
Molecular Weight2620.58 g/mol
Exact Mass2618.52
IUPAC Nametrisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.CCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.CCCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(S(N)(=O)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1ccc(S(N)(=O)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3[C@H](C)c1ccc(S(N)(=O)=O)cc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C22H20F2N4O4S.C21H18F2N4O4S.C20H16F2N4O4S.C19H18N4O3S.C18H14F2N4O3S.C18H15FN4O3S.3Na/c1-3-4-19(29)27-33(31,32)14-8-17(23)16(18(24)9-14)11-28-20(30)7-13-10-25-22-15(21(13)28)6-5-12(2)26-22;1-3-18(28)26-32(30,31)13-7-16(22)15(17(23)8-13)10-27-19(29)6-12-9-24-21-14(20(12)27)5-4-11(2)25-21;1-10-3-4-14-19-12(8-23-20(14)24-10)5-18(28)26(19)9-15-16(21)6-13(7-17(15)22)31(29,30)25-11(2)27;1-11-3-8-16-18-14(10-21-19(16)22-11)9-17(24)23(18)12(2)13-4-6-15(7-5-13)27(20,25)26;1-9-2-3-12-17-10(7-22-18(12)23-9)4-16(25)24(17)8-13-14(19)5-11(6-15(13)20)28(21,26)27;1-10-2-5-14-17-12(8-21-18(14)22-10)6-16(24)23(17)9-11-3-4-13(7-15(11)19)27(20,25)26;;;/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,27,29);4-5,7-9H,3,6,10H2,1-2H3,(H,26,28);3-4,6-8H,5,9H2,1-2H3,(H,25,27);3-8,10,12H,9H2,1-2H3,(H2,20,25,26);2-3,5-7H,4,8H2,1H3,(H2,21,26,27);2-5,7-8H,6,9H2,1H3,(H2,20,25,26);;;/q;;;;;;3*+1/p-3/t;;;12-;;;;;/m...1...../s1
InChIKeyNJSUAQOVBYVACU-RZGVDODJSA-K
XLogP6.93
TPSA652.95 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002620.58
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

1-[(2S,4R)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4S)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(4-fluorophenyl)sulfonyl-2-methylazetidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one
CID 157347424
benzoyl-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]azanide;[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(4-methylphenyl)sulfonylazanide;[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-phenylsulfanylazanide;[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-pyridin-4-ylazanide;[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-pyrimidin-2-ylazanide;[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carbonyl]-(trifluoromethyl)azanide;phenyl-[2-[6-[2-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]propan-2-yl]azanide;heptakis(platinum(2+))
CID 157374701
1-Cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 157468159
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one;1-[(5S)-4-(4-fluorophenyl)sulfonyl-4-azaspiro[2.4]heptan-5-yl]-3-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one;1-[(2S,5R)-1-(4-fluorophenyl)sulfonyl-5-(trifluoromethyl)pyrrolidin-2-yl]-3-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one
CID 158079109
CID 158125706
CID 158125706
(2S)-N-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]-1-(4-fluorophenyl)sulfonyl-5,5-dimethylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1R,3S,5R)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;(2S,5R)-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 158987807
1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-1-(3,4-difluorophenyl)sulfonyl-4-fluoro-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one
CID 159176296
1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one;1-[(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(1S,3S,5S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]propan-1-one
CID 159300749
(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-[4-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(4-piperidin-1-ylsulfonylphenyl)but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)but-3-en-2-one;(E)-3-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-isoquinolin-4-ylprop-2-enamide
CID 159983519
bis(1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[4-(trifluoromethyl)cyclohexyl]-4-pyridinyl]propan-1-one);bis(1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]propan-1-one);4-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-3-carbonitrile
CID 160275343
2-[4-(tert-butylsulfamoyl)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-2-[4-(propan-2-ylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 160578767

Frequently Asked Questions

What is the IUPAC name of trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide (CID 165035997) is trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide is CC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.CCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.CCCC(=O)[N-]S(=O)(=O)c1cc(F)c(CN2C(=O)Cc3cnc4nc(C)ccc4c32)c(F)c1.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1c(F)cc(S(N)(=O)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3Cc1ccc(S(N)(=O)=O)cc1F.Cc1ccc2c3c(cnc2n1)CC(=O)N3[C@H](C)c1ccc(S(N)(=O)=O)cc1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is NJSUAQOVBYVACU-RZGVDODJSA-K. The full InChI is InChI=1S/C22H20F2N4O4S.C21H18F2N4O4S.C20H16F2N4O4S.C19H18N4O3S.C18H14F2N4O3S.C18H15FN4O3S.3Na/c1-3-4-19(29)27-33(31,32)14-8-17(23)16(18(24)9-14)11-28-20(30)7-13-10-25-22-15(21(13)28)6-5-12(2)26-22;1-3-18(28)26-32(30,31)13-7-16(22)15(17(23)8-13)10-27-19(29)6-12-9-24-21-14(20(12)27)5-4-11(2)25-21;1-10-3-4-14-19-12(8-23-20(14)24-10)5-18(28)26(19)9-15-16(21)6-13(7-17(15)22)31(29,30)25-11(2)27;1-11-3-8-16-18-14(10-21-19(16)22-11)9-17(24)23(18)12(2)13-4-6-15(7-5-13)27(20,25)26;1-9-2-3-12-17-10(7-22-18(12)23-9)4-16(25)24(17)8-13-14(19)5-11(6-15(13)20)28(21,26)27;1-10-2-5-14-17-12(8-21-18(14)22-10)6-16(24)23(17)9-11-3-4-13(7-15(11)19)27(20,25)26;;;/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,27,29);4-5,7-9H,3,6,10H2,1-2H3,(H,26,28);3-4,6-8H,5,9H2,1-2H3,(H,25,27);3-8,10,12H,9H2,1-2H3,(H2,20,25,26);2-3,5-7H,4,8H2,1H3,(H2,21,26,27);2-5,7-8H,6,9H2,1H3,(H2,20,25,26);;;/q;;;;;;3*+1/p-3/t;;;12-;;;;;/m...1...../s1.
What are the key properties of trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide?
trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 2620.58 g/mol, XLogP of 6.93, 24 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;acetyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;butanoyl-[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonylazanide;3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;[3,5-difluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]phenyl]sulfonyl-propanoylazanide;3-fluoro-4-[(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide;4-[(1R)-1-(7-methyl-2-oxo-3H-pyrrolo[3,2-c][1,8]naphthyridin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 165035997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).