2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile

C265H270F21N63O42 — CID 158517553

IUPAC2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCCCOCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOCCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC.COCCOCCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c[nH]c1=O.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(Cc4cn(C)cn4)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1O.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC1CCOCC1.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OCC1CCCCO1
InChIInChI=1S/C25H26F3N5O4.C25H28F3N5O4.C24H24F3N5O4.C24H26F3N5O4.C23H27N5O5.C22H22F3N5O3.C22H21N7O3.C21H20N6O3.C20H18F3N5O3.2C20H21N5O3.C19H16F3N5O3/c1-15-7-19(16-8-21(23(35-2)29-9-16)37-13-18-5-3-4-6-36-18)31-20-12-33(24(34)22(15)20)17-10-30-32(11-17)14-25(26,27)28;1-4-5-6-36-7-8-37-21-10-17(11-29-23(21)35-3)19-9-16(2)22-20(31-19)14-33(24(22)34)18-12-30-32(13-18)15-25(26,27)28;1-14-7-18(15-8-20(22(34-2)28-9-15)36-17-3-5-35-6-4-17)30-19-12-32(23(33)21(14)19)16-10-29-31(11-16)13-24(25,26)27;1-4-35-6-5-7-36-20-9-16(10-28-22(20)34-3)18-8-15(2)21-19(30-18)13-32(23(21)33)17-11-29-31(12-17)14-24(25,26)27;1-15-9-18(26-19-14-28(23(29)21(15)19)17-12-25-27(2)13-17)16-10-20(31-4)22(24-11-16)33-8-7-32-6-5-30-3;1-12-6-15(13-7-16(32-4)19(33-5)26-8-13)28-18-17(12)20(31)30(21(18,2)3)14-9-27-29(10-14)11-22(23,24)25;1-27-9-15(24-13-27)10-28-11-16(8-25-28)29-12-19-17(22(29)30)4-5-18(26-19)14-6-20(31-2)21(32-3)23-7-14;1-12-5-15(13-6-17(30-4)19(28)23-7-13)25-16-10-26(20(29)18(12)16)14-8-24-27(9-14)21(2,3)11-22;1-11-4-14(12-5-16(30-2)18(31-3)24-6-12)26-15-9-28(19(29)17(11)15)13-7-25-27(8-13)10-20(21,22)23;1-5-28-17-7-13(8-21-19(17)27-4)15-6-12(2)18-16(23-15)11-25(20(18)26)14-9-22-24(3)10-14;1-5-28-19-17(27-4)7-13(8-21-19)15-6-12(2)18-16(23-15)11-25(20(18)26)14-9-22-24(3)10-14;1-10-3-13(11-4-15(28)17(30-2)23-5-11)25-14-8-27(18(29)16(10)14)12-6-24-26(7-12)9-19(20,21)22/h7-11,18H,3-6,12-14H2,1-2H3;9-13H,4-8,14-15H2,1-3H3;7-11,17H,3-6,12-13H2,1-2H3;8-12H,4-7,13-14H2,1-3H3;9-13H,5-8,14H2,1-4H3;6-10H,11H2,1-5H3;4-9,11,13H,10,12H2,1-3H3;5-9H,10H2,1-4H3,(H,23,28);4-8H,9-10H2,1-3H3;2*6-10H,5,11H2,1-4H3;3-7,28H,8-9H2,1-2H3
InChIKeyHLUVMZSWOAOKSP-UHFFFAOYSA-N
MW5408.43 g/mol
LogP40.19
Rot. Bonds78

About 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile

2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 158517553) has the molecular formula C265H270F21N63O42 and a molecular weight of 5408.43 g/mol. Its IUPAC name is 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
PubChem CID158517553
Molecular FormulaC265H270F21N63O42
Molecular Weight5408.43 g/mol
Exact Mass5405.06
IUPAC Name2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
SMILESCCCCOCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOCCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC.COCCOCCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c[nH]c1=O.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(Cc4cn(C)cn4)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1O.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC1CCOCC1.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OCC1CCCCO1
InChIInChI=1S/C25H26F3N5O4.C25H28F3N5O4.C24H24F3N5O4.C24H26F3N5O4.C23H27N5O5.C22H22F3N5O3.C22H21N7O3.C21H20N6O3.C20H18F3N5O3.2C20H21N5O3.C19H16F3N5O3/c1-15-7-19(16-8-21(23(35-2)29-9-16)37-13-18-5-3-4-6-36-18)31-20-12-33(24(34)22(15)20)17-10-30-32(11-17)14-25(26,27)28;1-4-5-6-36-7-8-37-21-10-17(11-29-23(21)35-3)19-9-16(2)22-20(31-19)14-33(24(22)34)18-12-30-32(13-18)15-25(26,27)28;1-14-7-18(15-8-20(22(34-2)28-9-15)36-17-3-5-35-6-4-17)30-19-12-32(23(33)21(14)19)16-10-29-31(11-16)13-24(25,26)27;1-4-35-6-5-7-36-20-9-16(10-28-22(20)34-3)18-8-15(2)21-19(30-18)13-32(23(21)33)17-11-29-31(12-17)14-24(25,26)27;1-15-9-18(26-19-14-28(23(29)21(15)19)17-12-25-27(2)13-17)16-10-20(31-4)22(24-11-16)33-8-7-32-6-5-30-3;1-12-6-15(13-7-16(32-4)19(33-5)26-8-13)28-18-17(12)20(31)30(21(18,2)3)14-9-27-29(10-14)11-22(23,24)25;1-27-9-15(24-13-27)10-28-11-16(8-25-28)29-12-19-17(22(29)30)4-5-18(26-19)14-6-20(31-2)21(32-3)23-7-14;1-12-5-15(13-6-17(30-4)19(28)23-7-13)25-16-10-26(20(29)18(12)16)14-8-24-27(9-14)21(2,3)11-22;1-11-4-14(12-5-16(30-2)18(31-3)24-6-12)26-15-9-28(19(29)17(11)15)13-7-25-27(8-13)10-20(21,22)23;1-5-28-17-7-13(8-21-19(17)27-4)15-6-12(2)18-16(23-15)11-25(20(18)26)14-9-22-24(3)10-14;1-5-28-19-17(27-4)7-13(8-21-19)15-6-12(2)18-16(23-15)11-25(20(18)26)14-9-22-24(3)10-14;1-10-3-13(11-4-15(28)17(30-2)23-5-11)25-14-8-27(18(29)16(10)14)12-6-24-26(7-12)9-19(20,21)22/h7-11,18H,3-6,12-14H2,1-2H3;9-13H,4-8,14-15H2,1-3H3;7-11,17H,3-6,12-13H2,1-2H3;8-12H,4-7,13-14H2,1-3H3;9-13H,5-8,14H2,1-4H3;6-10H,11H2,1-5H3;4-9,11,13H,10,12H2,1-3H3;5-9H,10H2,1-4H3,(H,23,28);4-8H,9-10H2,1-3H3;2*6-10H,5,11H2,1-4H3;3-7,28H,8-9H2,1-2H3
InChIKeyHLUVMZSWOAOKSP-UHFFFAOYSA-N
XLogP40.19
TPSA1107.17 Ų
H-Bond Donors2
H-Bond Acceptors92
Rotatable Bonds78
Heavy Atoms391
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005408.43
LogP ≤ 540.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1092

Analyze 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-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 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 158517553) is 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile is CCCCOCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOCCCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cnc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC.COCCOCCOc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c[nH]c1=O.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(Cc4cn(C)cn4)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1O.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC1CCOCC1.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OCC1CCCCO1.
What is the InChIKey of 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is HLUVMZSWOAOKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4.C25H28F3N5O4.C24H24F3N5O4.C24H26F3N5O4.C23H27N5O5.C22H22F3N5O3.C22H21N7O3.C21H20N6O3.C20H18F3N5O3.2C20H21N5O3.C19H16F3N5O3/c1-15-7-19(16-8-21(23(35-2)29-9-16)37-13-18-5-3-4-6-36-18)31-20-12-33(24(34)22(15)20)17-10-30-32(11-17)14-25(26,27)28;1-4-5-6-36-7-8-37-21-10-17(11-29-23(21)35-3)19-9-16(2)22-20(31-19)14-33(24(22)34)18-12-30-32(13-18)15-25(26,27)28;1-14-7-18(15-8-20(22(34-2)28-9-15)36-17-3-5-35-6-4-17)30-19-12-32(23(33)21(14)19)16-10-29-31(11-16)13-24(25,26)27;1-4-35-6-5-7-36-20-9-16(10-28-22(20)34-3)18-8-15(2)21-19(30-18)13-32(23(21)33)17-11-29-31(12-17)14-24(25,26)27;1-15-9-18(26-19-14-28(23(29)21(15)19)17-12-25-27(2)13-17)16-10-20(31-4)22(24-11-16)33-8-7-32-6-5-30-3;1-12-6-15(13-7-16(32-4)19(33-5)26-8-13)28-18-17(12)20(31)30(21(18,2)3)14-9-27-29(10-14)11-22(23,24)25;1-27-9-15(24-13-27)10-28-11-16(8-25-28)29-12-19-17(22(29)30)4-5-18(26-19)14-6-20(31-2)21(32-3)23-7-14;1-12-5-15(13-6-17(30-4)19(28)23-7-13)25-16-10-26(20(29)18(12)16)14-8-24-27(9-14)21(2,3)11-22;1-11-4-14(12-5-16(30-2)18(31-3)24-6-12)26-15-9-28(19(29)17(11)15)13-7-25-27(8-13)10-20(21,22)23;1-5-28-17-7-13(8-21-19(17)27-4)15-6-12(2)18-16(23-15)11-25(20(18)26)14-9-22-24(3)10-14;1-5-28-19-17(27-4)7-13(8-21-19)15-6-12(2)18-16(23-15)11-25(20(18)26)14-9-22-24(3)10-14;1-10-3-13(11-4-15(28)17(30-2)23-5-11)25-14-8-27(18(29)16(10)14)12-6-24-26(7-12)9-19(20,21)22/h7-11,18H,3-6,12-14H2,1-2H3;9-13H,4-8,14-15H2,1-3H3;7-11,17H,3-6,12-13H2,1-2H3;8-12H,4-7,13-14H2,1-3H3;9-13H,5-8,14H2,1-4H3;6-10H,11H2,1-5H3;4-9,11,13H,10,12H2,1-3H3;5-9H,10H2,1-4H3,(H,23,28);4-8H,9-10H2,1-3H3;2*6-10H,5,11H2,1-4H3;3-7,28H,8-9H2,1-2H3.
What are the key properties of 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?
2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 5408.43 g/mol, XLogP of 40.19, 78 rotatable bonds, 2 hydrogen bond donors, and 92 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-butoxyethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(1-methylimidazol-4-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(3-ethoxypropoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-6-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-2-ylmethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[6-methoxy-5-(oxan-4-yloxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-methoxy-6-oxo-1H-pyridin-3-yl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 158517553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).