2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one

C330H308ClF5N70O48S — CID 161410619

IUPAC2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
SMILESC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CCC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CCc1nc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n[nH]1.CCn1cnc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n1.CCn1nc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cc1C.CCn1ncc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n1.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(C)C)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CCC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn([C@@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn([C@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2csc(C)c2)C3=O)cnc1OC
InChIInChI=1S/C23H22N4O3.C22H24N4O3.C22H20N4O3.4C21H19N5O3.C21H22N4O3.C21H18N4O3.C20H16ClN5O3.C20H17F3N4O3.C20H18F2N4O3.C20H18N2O3S.3C19H19N5O3/c1-4-5-6-9-26-15-19(13-25-26)27-14-18-10-16(7-8-20(18)23(27)28)17-11-21(29-2)22(30-3)24-12-17;1-14(2)11-25-13-18(10-24-25)26-12-17-7-15(5-6-19(17)22(26)27)16-8-20(28-3)21(29-4)23-9-16;1-4-5-8-25-14-18(12-24-25)26-13-17-9-15(6-7-19(17)22(26)27)16-10-20(28-2)21(29-3)23-11-16;2*1-13(8-22)26-12-17(10-24-26)25-11-16-6-14(4-5-18(16)21(25)27)15-7-19(28-2)20(29-3)23-9-15;1-13-6-14(15-8-18(28-2)20(29-3)23-9-15)7-16-11-26(21(27)19(13)16)17-10-24-25(12-17)5-4-22;1-28-19-9-15(10-23-20(19)29-2)14-4-5-18-16(8-14)12-26(21(18)27)17-11-24-25(13-17)7-3-6-22;1-5-25-13(2)8-19(23-25)24-12-16-9-14(6-7-17(16)21(24)26)15-10-18(27-3)20(28-4)22-11-15;1-4-7-24-13-17(11-23-24)25-12-16-8-14(5-6-18(16)21(25)26)15-9-19(27-2)20(28-3)22-10-15;1-28-17-7-13(8-23-19(17)29-2)12-5-14-10-26(20(27)18(14)16(21)6-12)15-9-24-25(11-15)4-3-22;1-29-17-6-13(7-24-18(17)30-2)12-3-4-16-14(5-12)9-27(19(16)28)15-8-25-26(10-15)11-20(21,22)23;1-28-17-6-13(7-23-19(17)29-2)12-3-4-16-14(5-12)9-26(20(16)27)15-8-24-25(10-15)11-18(21)22;1-12-6-16(11-26-12)22-10-15-7-13(4-5-17(15)20(22)23)14-8-18(24-2)19(25-3)21-9-14;1-4-24-21-10-17(22-24)23-11-14-7-12(5-6-15(14)19(23)25)13-8-16(26-2)18(27-3)20-9-13;1-4-23-11-21-19(22-23)24-10-14-7-12(5-6-15(14)18(24)25)13-8-16(26-2)17(27-3)20-9-13;1-4-16-21-19(23-22-16)24-10-13-7-11(5-6-14(13)18(24)25)12-8-15(26-2)17(27-3)20-9-12/h7-8,10-13,15H,4,9,14H2,1-3H3;5-10,13-14H,11-12H2,1-4H3;6-7,9-12,14H,8,13H2,1-3H3;2*4-7,9-10,12-13H,11H2,1-3H3;6-10,12H,5,11H2,1-3H3;4-5,8-11,13H,3,7,12H2,1-2H3;6-11H,5,12H2,1-4H3;1,5-6,8-11,13H,7,12H2,2-3H3;5-9,11H,4,10H2,1-2H3;3-8,10H,9,11H2,1-2H3;3-8,10,18H,9,11H2,1-2H3;4-9,11H,10H2,1-3H3;5-10H,4,11H2,1-3H3;5-9,11H,4,10H2,1-3H3;5-9H,4,10H2,1-3H3,(H,21,22,23)/t;;;2*13-;;;;;;;;;;;/m...10.........../s1
InChIKeyVVKMVDQJXJLWGQ-BAAHBCBCSA-N
MW6185.05 g/mol
LogP51.42
Rot. Bonds82

About 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one

2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one (PubChem CID 161410619) has the molecular formula C330H308ClF5N70O48S and a molecular weight of 6185.05 g/mol. Its IUPAC name is 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
PubChem CID161410619
Molecular FormulaC330H308ClF5N70O48S
Molecular Weight6185.05 g/mol
Exact Mass6180.31
IUPAC Name2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
SMILESC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CCC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CCc1nc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n[nH]1.CCn1cnc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n1.CCn1nc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cc1C.CCn1ncc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n1.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(C)C)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CCC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn([C@@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn([C@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2csc(C)c2)C3=O)cnc1OC
InChIInChI=1S/C23H22N4O3.C22H24N4O3.C22H20N4O3.4C21H19N5O3.C21H22N4O3.C21H18N4O3.C20H16ClN5O3.C20H17F3N4O3.C20H18F2N4O3.C20H18N2O3S.3C19H19N5O3/c1-4-5-6-9-26-15-19(13-25-26)27-14-18-10-16(7-8-20(18)23(27)28)17-11-21(29-2)22(30-3)24-12-17;1-14(2)11-25-13-18(10-24-25)26-12-17-7-15(5-6-19(17)22(26)27)16-8-20(28-3)21(29-4)23-9-16;1-4-5-8-25-14-18(12-24-25)26-13-17-9-15(6-7-19(17)22(26)27)16-10-20(28-2)21(29-3)23-11-16;2*1-13(8-22)26-12-17(10-24-26)25-11-16-6-14(4-5-18(16)21(25)27)15-7-19(28-2)20(29-3)23-9-15;1-13-6-14(15-8-18(28-2)20(29-3)23-9-15)7-16-11-26(21(27)19(13)16)17-10-24-25(12-17)5-4-22;1-28-19-9-15(10-23-20(19)29-2)14-4-5-18-16(8-14)12-26(21(18)27)17-11-24-25(13-17)7-3-6-22;1-5-25-13(2)8-19(23-25)24-12-16-9-14(6-7-17(16)21(24)26)15-10-18(27-3)20(28-4)22-11-15;1-4-7-24-13-17(11-23-24)25-12-16-8-14(5-6-18(16)21(25)26)15-9-19(27-2)20(28-3)22-10-15;1-28-17-7-13(8-23-19(17)29-2)12-5-14-10-26(20(27)18(14)16(21)6-12)15-9-24-25(11-15)4-3-22;1-29-17-6-13(7-24-18(17)30-2)12-3-4-16-14(5-12)9-27(19(16)28)15-8-25-26(10-15)11-20(21,22)23;1-28-17-6-13(7-23-19(17)29-2)12-3-4-16-14(5-12)9-26(20(16)27)15-8-24-25(10-15)11-18(21)22;1-12-6-16(11-26-12)22-10-15-7-13(4-5-17(15)20(22)23)14-8-18(24-2)19(25-3)21-9-14;1-4-24-21-10-17(22-24)23-11-14-7-12(5-6-15(14)19(23)25)13-8-16(26-2)18(27-3)20-9-13;1-4-23-11-21-19(22-23)24-10-14-7-12(5-6-15(14)18(24)25)13-8-16(26-2)17(27-3)20-9-13;1-4-16-21-19(23-22-16)24-10-13-7-11(5-6-14(13)18(24)25)12-8-15(26-2)17(27-3)20-9-12/h7-8,10-13,15H,4,9,14H2,1-3H3;5-10,13-14H,11-12H2,1-4H3;6-7,9-12,14H,8,13H2,1-3H3;2*4-7,9-10,12-13H,11H2,1-3H3;6-10,12H,5,11H2,1-3H3;4-5,8-11,13H,3,7,12H2,1-2H3;6-11H,5,12H2,1-4H3;1,5-6,8-11,13H,7,12H2,2-3H3;5-9,11H,4,10H2,1-2H3;3-8,10H,9,11H2,1-2H3;3-8,10,18H,9,11H2,1-2H3;4-9,11H,10H2,1-3H3;5-10H,4,11H2,1-3H3;5-9,11H,4,10H2,1-3H3;5-9H,4,10H2,1-3H3,(H,21,22,23)/t;;;2*13-;;;;;;;;;;;/m...10.........../s1
InChIKeyVVKMVDQJXJLWGQ-BAAHBCBCSA-N
XLogP51.42
TPSA1262.34 Ų
H-Bond Donors1
H-Bond Acceptors102
Rotatable Bonds82
Heavy Atoms455
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006185.05
LogP ≤ 551.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 10102

Analyze 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one (CID 161410619) is 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one is C#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CCC#CCn1cc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cn1.CCc1nc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n[nH]1.CCn1cnc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n1.CCn1nc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)cc1C.CCn1ncc(N2Cc3cc(-c4cnc(OC)c(OC)c4)ccc3C2=O)n1.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(C)C)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CCC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn([C@@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn([C@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2csc(C)c2)C3=O)cnc1OC.
What is the InChIKey of 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
The InChIKey is VVKMVDQJXJLWGQ-BAAHBCBCSA-N. The full InChI is InChI=1S/C23H22N4O3.C22H24N4O3.C22H20N4O3.4C21H19N5O3.C21H22N4O3.C21H18N4O3.C20H16ClN5O3.C20H17F3N4O3.C20H18F2N4O3.C20H18N2O3S.3C19H19N5O3/c1-4-5-6-9-26-15-19(13-25-26)27-14-18-10-16(7-8-20(18)23(27)28)17-11-21(29-2)22(30-3)24-12-17;1-14(2)11-25-13-18(10-24-25)26-12-17-7-15(5-6-19(17)22(26)27)16-8-20(28-3)21(29-4)23-9-16;1-4-5-8-25-14-18(12-24-25)26-13-17-9-15(6-7-19(17)22(26)27)16-10-20(28-2)21(29-3)23-11-16;2*1-13(8-22)26-12-17(10-24-26)25-11-16-6-14(4-5-18(16)21(25)27)15-7-19(28-2)20(29-3)23-9-15;1-13-6-14(15-8-18(28-2)20(29-3)23-9-15)7-16-11-26(21(27)19(13)16)17-10-24-25(12-17)5-4-22;1-28-19-9-15(10-23-20(19)29-2)14-4-5-18-16(8-14)12-26(21(18)27)17-11-24-25(13-17)7-3-6-22;1-5-25-13(2)8-19(23-25)24-12-16-9-14(6-7-17(16)21(24)26)15-10-18(27-3)20(28-4)22-11-15;1-4-7-24-13-17(11-23-24)25-12-16-8-14(5-6-18(16)21(25)26)15-9-19(27-2)20(28-3)22-10-15;1-28-17-7-13(8-23-19(17)29-2)12-5-14-10-26(20(27)18(14)16(21)6-12)15-9-24-25(11-15)4-3-22;1-29-17-6-13(7-24-18(17)30-2)12-3-4-16-14(5-12)9-27(19(16)28)15-8-25-26(10-15)11-20(21,22)23;1-28-17-6-13(7-23-19(17)29-2)12-3-4-16-14(5-12)9-26(20(16)27)15-8-24-25(10-15)11-18(21)22;1-12-6-16(11-26-12)22-10-15-7-13(4-5-17(15)20(22)23)14-8-18(24-2)19(25-3)21-9-14;1-4-24-21-10-17(22-24)23-11-14-7-12(5-6-15(14)19(23)25)13-8-16(26-2)18(27-3)20-9-13;1-4-23-11-21-19(22-23)24-10-14-7-12(5-6-15(14)18(24)25)13-8-16(26-2)17(27-3)20-9-13;1-4-16-21-19(23-22-16)24-10-13-7-11(5-6-14(13)18(24)25)12-8-15(26-2)17(27-3)20-9-12/h7-8,10-13,15H,4,9,14H2,1-3H3;5-10,13-14H,11-12H2,1-4H3;6-7,9-12,14H,8,13H2,1-3H3;2*4-7,9-10,12-13H,11H2,1-3H3;6-10,12H,5,11H2,1-3H3;4-5,8-11,13H,3,7,12H2,1-2H3;6-11H,5,12H2,1-4H3;1,5-6,8-11,13H,7,12H2,2-3H3;5-9,11H,4,10H2,1-2H3;3-8,10H,9,11H2,1-2H3;3-8,10,18H,9,11H2,1-2H3;4-9,11H,10H2,1-3H3;5-10H,4,11H2,1-3H3;5-9,11H,4,10H2,1-3H3;5-9H,4,10H2,1-3H3,(H,21,22,23)/t;;;2*13-;;;;;;;;;;;/m...10.........../s1.
What are the key properties of 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one has a molecular weight of 6185.05 g/mol, XLogP of 51.42, 82 rotatable bonds, 1 hydrogen bond donors, and 102 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-2-ynylpyrazol-4-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-methylthiophen-3-yl)-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;3-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-pent-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-prop-2-ynylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 161410619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).