6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile

C292H257F32N67O42 — CID 158004615

IUPAC6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCOc1ccnc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)c1.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(OC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(OCC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(F)(F)C(N)=O)c2)C3=O)cnc1OC.COc1cc(OC)c(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cn1.Cc1cc(-c2cncc(OC(F)F)c2)cc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C(C)(C)C#N)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)O.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2
InChIInChI=1S/C23H24N6O3.C22H19F3N4O4.C22H20F2N6O2.C22H19N5O3.C22H22N4O4.C21H17F5N4O2.C21H20F3N5O3.C21H18F2N4O4.C20H16F5N5O3.C20H15F3N4O2.C20H19F2N5O3.C20H17FN4O3.C19H15F4N5O2.C19H16F2N6O4/c1-6-32-21-19(31-5)8-15(9-25-21)17-7-14(2)20-18(27-17)12-28(22(20)30)16-10-26-29(11-16)23(3,4)13-24;1-12-4-16(13-5-18(31-2)20(32-3)27-7-13)28-17-10-29(21(30)19(12)17)14-6-15(9-26-8-14)33-11-22(23,24)25;1-12-5-17(14-6-16(9-26-7-14)32-21(23)24)28-19-13(2)30(20(31)18(12)19)15-8-27-29(10-15)22(3,4)11-25;1-13-6-17(15-8-19(29-2)21(30-3)25-10-15)26-18-12-27(22(28)20(13)18)16-7-14(4-5-23)9-24-11-16;1-5-30-15-6-7-23-19(10-15)26-12-17-20(22(26)27)13(2)8-16(25-17)14-9-18(28-3)21(29-4)24-11-14;1-11-3-13(14-4-16(8-27-6-14)32-20(22)23)5-17-12(2)30(19(31)18(11)17)15-7-28-29(9-15)10-21(24,25)26;1-11-5-15(14-8-25-17(32-4)6-16(14)31-3)27-19-12(2)29(20(30)18(11)19)13-7-26-28(9-13)10-21(22,23)24;1-11-4-15(12-5-17(29-2)19(30-3)25-7-12)26-16-10-27(20(28)18(11)16)13-6-14(9-24-8-13)31-21(22)23;1-10-3-14(11-4-13(7-26-5-11)33-18(21)22)28-16-15(10)17(31)30(19(16,2)32)12-6-27-29(8-12)9-20(23,24)25;1-10-5-15(12-6-14(9-24-8-12)29-20(22)23)26-18-11(2)27(19(28)17(10)18)13-3-4-25-16(21)7-13;1-11-4-14(12-5-16(29-2)19(30-3)23-6-12)25-15-9-27(20(28)18(11)15)13-7-24-26(8-13)10-17(21)22;1-11-4-15(12-5-17(27-2)19(28-3)23-7-12)24-16-10-25(20(26)18(11)16)14-6-13(21)8-22-9-14;1-10-2-14(11-3-13(6-24-4-11)30-19(22)23)26-15-8-28(18(29)17(10)15)12-5-25-27(7-12)9-16(20)21;1-30-15-5-10(6-23-16(15)31-2)13-4-3-12-14(25-13)9-26(17(12)28)11-7-24-27(8-11)19(20,21)18(22)29/h7-11H,6,12H2,1-5H3;4-9H,10-11H2,1-3H3;5-10,13,21H,1-4H3;6-11H,4,12H2,1-3H3;6-11H,5,12H2,1-4H3;3-9,12,20H,10H2,1-2H3;5-9,12H,10H2,1-4H3;4-9,21H,10H2,1-3H3;3-8,18,32H,9H2,1-2H3;3-9,11,20H,1-2H3;4-8,17H,9-10H2,1-3H3;4-9H,10H2,1-3H3;2-7,16,19H,8-9H2,1H3;3-8H,9H2,1-2H3,(H2,22,29)
InChIKeyFEDFCNCSWVZZQN-UHFFFAOYSA-N
MW5984.63 g/mol
LogP50.33
Rot. Bonds75

About 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile

6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 158004615) has the molecular formula C292H257F32N67O42 and a molecular weight of 5984.63 g/mol. Its IUPAC name is 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID158004615
Molecular FormulaC292H257F32N67O42
Molecular Weight5984.63 g/mol
Exact Mass5980.95
IUPAC Name6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCOc1ccnc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)c1.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(OC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(OCC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(F)(F)C(N)=O)c2)C3=O)cnc1OC.COc1cc(OC)c(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cn1.Cc1cc(-c2cncc(OC(F)F)c2)cc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C(C)(C)C#N)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)O.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2
InChIInChI=1S/C23H24N6O3.C22H19F3N4O4.C22H20F2N6O2.C22H19N5O3.C22H22N4O4.C21H17F5N4O2.C21H20F3N5O3.C21H18F2N4O4.C20H16F5N5O3.C20H15F3N4O2.C20H19F2N5O3.C20H17FN4O3.C19H15F4N5O2.C19H16F2N6O4/c1-6-32-21-19(31-5)8-15(9-25-21)17-7-14(2)20-18(27-17)12-28(22(20)30)16-10-26-29(11-16)23(3,4)13-24;1-12-4-16(13-5-18(31-2)20(32-3)27-7-13)28-17-10-29(21(30)19(12)17)14-6-15(9-26-8-14)33-11-22(23,24)25;1-12-5-17(14-6-16(9-26-7-14)32-21(23)24)28-19-13(2)30(20(31)18(12)19)15-8-27-29(10-15)22(3,4)11-25;1-13-6-17(15-8-19(29-2)21(30-3)25-10-15)26-18-12-27(22(28)20(13)18)16-7-14(4-5-23)9-24-11-16;1-5-30-15-6-7-23-19(10-15)26-12-17-20(22(26)27)13(2)8-16(25-17)14-9-18(28-3)21(29-4)24-11-14;1-11-3-13(14-4-16(8-27-6-14)32-20(22)23)5-17-12(2)30(19(31)18(11)17)15-7-28-29(9-15)10-21(24,25)26;1-11-5-15(14-8-25-17(32-4)6-16(14)31-3)27-19-12(2)29(20(30)18(11)19)13-7-26-28(9-13)10-21(22,23)24;1-11-4-15(12-5-17(29-2)19(30-3)25-7-12)26-16-10-27(20(28)18(11)16)13-6-14(9-24-8-13)31-21(22)23;1-10-3-14(11-4-13(7-26-5-11)33-18(21)22)28-16-15(10)17(31)30(19(16,2)32)12-6-27-29(8-12)9-20(23,24)25;1-10-5-15(12-6-14(9-24-8-12)29-20(22)23)26-18-11(2)27(19(28)17(10)18)13-3-4-25-16(21)7-13;1-11-4-14(12-5-16(29-2)19(30-3)23-6-12)25-15-9-27(20(28)18(11)15)13-7-24-26(8-13)10-17(21)22;1-11-4-15(12-5-17(27-2)19(28-3)23-7-12)24-16-10-25(20(26)18(11)16)14-6-13(21)8-22-9-14;1-10-2-14(11-3-13(6-24-4-11)30-19(22)23)26-15-8-28(18(29)17(10)15)12-5-25-27(7-12)9-16(20)21;1-30-15-5-10(6-23-16(15)31-2)13-4-3-12-14(25-13)9-26(17(12)28)11-7-24-27(8-11)19(20,21)18(22)29/h7-11H,6,12H2,1-5H3;4-9H,10-11H2,1-3H3;5-10,13,21H,1-4H3;6-11H,4,12H2,1-3H3;6-11H,5,12H2,1-4H3;3-9,12,20H,10H2,1-2H3;5-9,12H,10H2,1-4H3;4-9,21H,10H2,1-3H3;3-8,18,32H,9H2,1-2H3;3-9,11,20H,1-2H3;4-8,17H,9-10H2,1-3H3;4-9H,10H2,1-3H3;2-7,16,19H,8-9H2,1H3;3-8H,9H2,1-2H3,(H2,22,29)
InChIKeyFEDFCNCSWVZZQN-UHFFFAOYSA-N
XLogP50.33
TPSA1226.94 Ų
H-Bond Donors2
H-Bond Acceptors94
Rotatable Bonds75
Heavy Atoms433
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005984.63
LogP ≤ 550.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1094

Analyze 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 158004615) is 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile is CCOc1ccnc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)c1.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(OC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cncc(OCC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(F)(F)C(N)=O)c2)C3=O)cnc1OC.COc1cc(OC)c(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cn1.Cc1cc(-c2cncc(OC(F)F)c2)cc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C(C)(C)C#N)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)O.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2.
What is the InChIKey of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is FEDFCNCSWVZZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3.C22H19F3N4O4.C22H20F2N6O2.C22H19N5O3.C22H22N4O4.C21H17F5N4O2.C21H20F3N5O3.C21H18F2N4O4.C20H16F5N5O3.C20H15F3N4O2.C20H19F2N5O3.C20H17FN4O3.C19H15F4N5O2.C19H16F2N6O4/c1-6-32-21-19(31-5)8-15(9-25-21)17-7-14(2)20-18(27-17)12-28(22(20)30)16-10-26-29(11-16)23(3,4)13-24;1-12-4-16(13-5-18(31-2)20(32-3)27-7-13)28-17-10-29(21(30)19(12)17)14-6-15(9-26-8-14)33-11-22(23,24)25;1-12-5-17(14-6-16(9-26-7-14)32-21(23)24)28-19-13(2)30(20(31)18(12)19)15-8-27-29(10-15)22(3,4)11-25;1-13-6-17(15-8-19(29-2)21(30-3)25-10-15)26-18-12-27(22(28)20(13)18)16-7-14(4-5-23)9-24-11-16;1-5-30-15-6-7-23-19(10-15)26-12-17-20(22(26)27)13(2)8-16(25-17)14-9-18(28-3)21(29-4)24-11-14;1-11-3-13(14-4-16(8-27-6-14)32-20(22)23)5-17-12(2)30(19(31)18(11)17)15-7-28-29(9-15)10-21(24,25)26;1-11-5-15(14-8-25-17(32-4)6-16(14)31-3)27-19-12(2)29(20(30)18(11)19)13-7-26-28(9-13)10-21(22,23)24;1-11-4-15(12-5-17(29-2)19(30-3)25-7-12)26-16-10-27(20(28)18(11)16)13-6-14(9-24-8-13)31-21(22)23;1-10-3-14(11-4-13(7-26-5-11)33-18(21)22)28-16-15(10)17(31)30(19(16,2)32)12-6-27-29(8-12)9-20(23,24)25;1-10-5-15(12-6-14(9-24-8-12)29-20(22)23)26-18-11(2)27(19(28)17(10)18)13-3-4-25-16(21)7-13;1-11-4-14(12-5-16(29-2)19(30-3)23-6-12)25-15-9-27(20(28)18(11)15)13-7-24-26(8-13)10-17(21)22;1-11-4-15(12-5-17(27-2)19(28-3)23-7-12)24-16-10-25(20(26)18(11)16)14-6-13(21)8-22-9-14;1-10-2-14(11-3-13(6-24-4-11)30-19(22)23)26-15-8-28(18(29)17(10)15)12-5-25-27(7-12)9-16(20)21;1-30-15-5-10(6-23-16(15)31-2)13-4-3-12-14(25-13)9-26(17(12)28)11-7-24-27(8-11)19(20,21)18(22)29/h7-11H,6,12H2,1-5H3;4-9H,10-11H2,1-3H3;5-10,13,21H,1-4H3;6-11H,4,12H2,1-3H3;6-11H,5,12H2,1-4H3;3-9,12,20H,10H2,1-2H3;5-9,12H,10H2,1-4H3;4-9,21H,10H2,1-3H3;3-8,18,32H,9H2,1-2H3;3-9,11,20H,1-2H3;4-8,17H,9-10H2,1-3H3;4-9H,10H2,1-3H3;2-7,16,19H,8-9H2,1H3;3-8H,9H2,1-2H3,(H2,22,29).
What are the key properties of 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 5984.63 g/mol, XLogP of 50.33, 75 rotatable bonds, 2 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-[5-(difluoromethoxy)-3-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;5-[5-(difluoromethoxy)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(2-fluoro-4-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-7-hydroxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(4,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(4-ethoxy-2-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-fluoro-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2,2-difluoroacetamide;2-[4-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 158004615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).