2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C283H259F39N72O43 — CID 157205339

IUPAC2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCCOCCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1ncc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COCc1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)ccc3C2=O)nn1CC(F)(F)F.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@H](C)O)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cn(C)cn2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c(OC)nn1.COc1cc(-c2cc(C)c3c(n2)[C@@H](OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)[C@H](OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(F)(F)C#N)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OCC(F)F.Cc1cc(-c2cncc(O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccn[nH]1)C2.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OCCF)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2
InChIInChI=1S/C24H26F3N5O3.C22H25N5O4.C21H18F5N5O3.4C21H20F3N5O4.C20H16F5N5O2.C20H17F4N5O2.C19H17F3N6O3.C19H14F2N6O3.C19H19N5O3.C18H14F3N5O2.C17H13F2N5O2/c1-3-4-5-34-6-7-35-19-9-17(10-28-12-19)20-8-16(2)22-21(30-20)14-32(23(22)33)18-11-29-31(13-18)15-24(25,26)27;1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28;1-11-3-14(12-4-16(34-9-17(22)23)19(33-2)27-5-12)29-15-8-31(20(32)18(11)15)13-6-28-30(7-13)10-21(24,25)26;2*1-11-5-14(12-6-15(31-2)18(32-3)25-7-12)27-17-16(11)19(30)29(20(17)33-4)13-8-26-28(9-13)10-21(22,23)24;1-31-10-13-7-18(27-29(13)11-21(22,23)24)28-9-16-14(20(28)30)4-5-15(26-16)12-6-17(32-2)19(33-3)25-8-12;1-4-33-18-15(32-3)6-12(7-25-18)14-5-11(2)16-17(27-14)20(31)29(19(16)30)13-8-26-28(9-13)10-21(22,23)24;1-11-2-15(12-3-14(6-26-4-12)32-9-17(21)22)28-16-8-30(19(31)18(11)16)13-5-27-29(7-13)10-20(23,24)25;1-12-4-16(13-5-15(8-25-6-13)31-3-2-21)27-17-10-29(19(30)18(12)17)14-7-26-28(9-14)11-20(22,23)24;1-10-4-13(12-5-15(30-2)25-26-17(12)31-3)24-14-8-28(18(29)16(10)14)11-6-23-27(7-11)9-19(20,21)22;1-29-16-5-11(6-23-17(16)30-2)14-4-3-13-15(25-14)9-26(18(13)28)12-7-24-27(8-12)19(20,21)10-22;1-11-5-13(12-6-15(26-3)18(27-4)20-7-12)22-14-8-24(19(25)17(11)14)16-9-23(2)10-21-16;1-10-2-14(11-3-13(27)6-22-4-11)24-15-8-26(17(28)16(10)15)12-5-23-25(7-12)9-18(19,20)21;1-9-4-12(10-5-11(7-20-6-10)26-17(18)19)22-13-8-24(16(25)15(9)13)14-2-3-21-23-14/h8-13H,3-7,14-15H2,1-2H3;6-9,11,13-14,28H,10H2,1-5H3;3-7,17H,8-10H2,1-2H3;2*5-9,20H,10H2,1-4H3;4-8H,9-11H2,1-3H3;5-9,20,31H,4,10H2,1-3H3;2-7,17H,8-10H2,1H3;4-9H,2-3,10-11H2,1H3;4-7H,8-9H2,1-3H3;3-8H,9H2,1-2H3;5-7,9-10H,8H2,1-4H3;2-7,27H,8-9H2,1H3;2-7,17H,8H2,1H3,(H,21,23)/t;13-,14?;;2*20-;;;;;;;;;/m.0.10........./s1
InChIKeyARHBCYOETOAMBJ-QNQBMXSOSA-N
MW6097.57 g/mol
LogP46.41
Rot. Bonds81

About 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157205339) has the molecular formula C283H259F39N72O43 and a molecular weight of 6097.57 g/mol. Its IUPAC name is 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID157205339
Molecular FormulaC283H259F39N72O43
Molecular Weight6097.57 g/mol
Exact Mass6093.97
IUPAC Name2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCCOCCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1ncc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COCc1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)ccc3C2=O)nn1CC(F)(F)F.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@H](C)O)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cn(C)cn2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c(OC)nn1.COc1cc(-c2cc(C)c3c(n2)[C@@H](OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)[C@H](OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(F)(F)C#N)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OCC(F)F.Cc1cc(-c2cncc(O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccn[nH]1)C2.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OCCF)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2
InChIInChI=1S/C24H26F3N5O3.C22H25N5O4.C21H18F5N5O3.4C21H20F3N5O4.C20H16F5N5O2.C20H17F4N5O2.C19H17F3N6O3.C19H14F2N6O3.C19H19N5O3.C18H14F3N5O2.C17H13F2N5O2/c1-3-4-5-34-6-7-35-19-9-17(10-28-12-19)20-8-16(2)22-21(30-20)14-32(23(22)33)18-11-29-31(13-18)15-24(25,26)27;1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28;1-11-3-14(12-4-16(34-9-17(22)23)19(33-2)27-5-12)29-15-8-31(20(32)18(11)15)13-6-28-30(7-13)10-21(24,25)26;2*1-11-5-14(12-6-15(31-2)18(32-3)25-7-12)27-17-16(11)19(30)29(20(17)33-4)13-8-26-28(9-13)10-21(22,23)24;1-31-10-13-7-18(27-29(13)11-21(22,23)24)28-9-16-14(20(28)30)4-5-15(26-16)12-6-17(32-2)19(33-3)25-8-12;1-4-33-18-15(32-3)6-12(7-25-18)14-5-11(2)16-17(27-14)20(31)29(19(16)30)13-8-26-28(9-13)10-21(22,23)24;1-11-2-15(12-3-14(6-26-4-12)32-9-17(21)22)28-16-8-30(19(31)18(11)16)13-5-27-29(7-13)10-20(23,24)25;1-12-4-16(13-5-15(8-25-6-13)31-3-2-21)27-17-10-29(19(30)18(12)17)14-7-26-28(9-14)11-20(22,23)24;1-10-4-13(12-5-15(30-2)25-26-17(12)31-3)24-14-8-28(18(29)16(10)14)11-6-23-27(7-11)9-19(20,21)22;1-29-16-5-11(6-23-17(16)30-2)14-4-3-13-15(25-14)9-26(18(13)28)12-7-24-27(8-12)19(20,21)10-22;1-11-5-13(12-6-15(26-3)18(27-4)20-7-12)22-14-8-24(19(25)17(11)14)16-9-23(2)10-21-16;1-10-2-14(11-3-13(27)6-22-4-11)24-15-8-26(17(28)16(10)15)12-5-23-25(7-12)9-18(19,20)21;1-9-4-12(10-5-11(7-20-6-10)26-17(18)19)22-13-8-24(16(25)15(9)13)14-2-3-21-23-14/h8-13H,3-7,14-15H2,1-2H3;6-9,11,13-14,28H,10H2,1-5H3;3-7,17H,8-10H2,1-2H3;2*5-9,20H,10H2,1-4H3;4-8H,9-11H2,1-3H3;5-9,20,31H,4,10H2,1-3H3;2-7,17H,8-10H2,1H3;4-9H,2-3,10-11H2,1H3;4-7H,8-9H2,1-3H3;3-8H,9H2,1-2H3;5-7,9-10H,8H2,1-4H3;2-7,27H,8-9H2,1H3;2-7,17H,8H2,1H3,(H,21,23)/t;13-,14?;;2*20-;;;;;;;;;/m.0.10........./s1
InChIKeyARHBCYOETOAMBJ-QNQBMXSOSA-N
XLogP46.41
TPSA1242.95 Ų
H-Bond Donors4
H-Bond Acceptors100
Rotatable Bonds81
Heavy Atoms437
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006097.57
LogP ≤ 546.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 10100

Analyze 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 157205339) is 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCCCOCCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1ncc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COCc1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)ccc3C2=O)nn1CC(F)(F)F.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@H](C)O)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cn(C)cn2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c(OC)nn1.COc1cc(-c2cc(C)c3c(n2)[C@@H](OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)[C@H](OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(F)(F)C#N)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1OCC(F)F.Cc1cc(-c2cncc(O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccn[nH]1)C2.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OCCF)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.
What is the InChIKey of 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ARHBCYOETOAMBJ-QNQBMXSOSA-N. The full InChI is InChI=1S/C24H26F3N5O3.C22H25N5O4.C21H18F5N5O3.4C21H20F3N5O4.C20H16F5N5O2.C20H17F4N5O2.C19H17F3N6O3.C19H14F2N6O3.C19H19N5O3.C18H14F3N5O2.C17H13F2N5O2/c1-3-4-5-34-6-7-35-19-9-17(10-28-12-19)20-8-16(2)22-21(30-20)14-32(23(22)33)18-11-29-31(13-18)15-24(25,26)27;1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28;1-11-3-14(12-4-16(34-9-17(22)23)19(33-2)27-5-12)29-15-8-31(20(32)18(11)15)13-6-28-30(7-13)10-21(24,25)26;2*1-11-5-14(12-6-15(31-2)18(32-3)25-7-12)27-17-16(11)19(30)29(20(17)33-4)13-8-26-28(9-13)10-21(22,23)24;1-31-10-13-7-18(27-29(13)11-21(22,23)24)28-9-16-14(20(28)30)4-5-15(26-16)12-6-17(32-2)19(33-3)25-8-12;1-4-33-18-15(32-3)6-12(7-25-18)14-5-11(2)16-17(27-14)20(31)29(19(16)30)13-8-26-28(9-13)10-21(22,23)24;1-11-2-15(12-3-14(6-26-4-12)32-9-17(21)22)28-16-8-30(19(31)18(11)16)13-5-27-29(7-13)10-20(23,24)25;1-12-4-16(13-5-15(8-25-6-13)31-3-2-21)27-17-10-29(19(30)18(12)17)14-7-26-28(9-14)11-20(22,23)24;1-10-4-13(12-5-15(30-2)25-26-17(12)31-3)24-14-8-28(18(29)16(10)14)11-6-23-27(7-11)9-19(20,21)22;1-29-16-5-11(6-23-17(16)30-2)14-4-3-13-15(25-14)9-26(18(13)28)12-7-24-27(8-12)19(20,21)10-22;1-11-5-13(12-6-15(26-3)18(27-4)20-7-12)22-14-8-24(19(25)17(11)14)16-9-23(2)10-21-16;1-10-2-14(11-3-13(27)6-22-4-11)24-15-8-26(17(28)16(10)15)12-5-23-25(7-12)9-18(19,20)21;1-9-4-12(10-5-11(7-20-6-10)26-17(18)19)22-13-8-24(16(25)15(9)13)14-2-3-21-23-14/h8-13H,3-7,14-15H2,1-2H3;6-9,11,13-14,28H,10H2,1-5H3;3-7,17H,8-10H2,1-2H3;2*5-9,20H,10H2,1-4H3;4-8H,9-11H2,1-3H3;5-9,20,31H,4,10H2,1-3H3;2-7,17H,8-10H2,1H3;4-9H,2-3,10-11H2,1H3;4-7H,8-9H2,1-3H3;3-8H,9H2,1-2H3;5-7,9-10H,8H2,1-4H3;2-7,27H,8-9H2,1H3;2-7,17H,8H2,1H3,(H,21,23)/t;13-,14?;;2*20-;;;;;;;;;/m.0.10........./s1.
What are the key properties of 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 6097.57 g/mol, XLogP of 46.41, 81 rotatable bonds, 4 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-butoxyethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,6-dimethoxypyridazin-4-yl)-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-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-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-methyl-6-(1-methylimidazol-4-yl)-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-difluoroacetonitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2-fluoroethoxy)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-hydroxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157205339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).