7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

C289H263F33N68O40 — CID 160592886

IUPAC7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ncc(-c2cc(C)c3c(n2)C2(CC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)cc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cncc(CCC#N)c2)C3=O)cc1OC.CCc1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)nn1CC(F)(F)F.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3C2C)n1.CCn1ccc(N2Cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3C2=O)n1.COc1cc(-c2cc(C)c3c(n2)C(O)(C2CC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C(O)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)cc1OC(F)F.Cc1cc(-c2ccc(F)c(O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(OCC(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CC1.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)C2C
InChIInChI=1S/C24H23N5O3.C23H22F3N5O4.C23H22F3N5O3.C22H18F4N4O3.C22H22F3N5O3.C21H16F5N5O2.C21H20F3N5O5.C21H21F2N5O3.C20H19F2N5O2.C19H14F4N4O2.C19H17F2N5O2.C19H19N5O3.C18H15F2N5O3.C17H15N5O2/c1-4-32-23-21(31-3)10-17(12-27-23)19-8-15(2)22-20(28-19)14-29(24(22)30)18-9-16(6-5-7-25)11-26-13-18;1-12-6-16(13-7-17(34-2)20(35-3)27-8-13)29-19-18(12)21(32)31(23(19,33)14-4-5-14)15-9-28-30(10-15)11-22(24,25)26;1-4-34-20-17(33-3)8-14(9-27-20)16-7-13(2)18-19(29-16)22(5-6-22)31(21(18)32)15-10-28-30(11-15)12-23(24,25)26;1-11-5-16(13-6-15(9-27-8-13)33-22(25)26)29-20-12(2)30(21(31)19(11)20)14-3-4-28-18(7-14)32-10-17(23)24;1-5-14-8-18(28-30(14)11-22(23,24)25)29-10-16-19(21(29)31)12(2)6-15(27-16)13-7-17(32-3)20(33-4)26-9-13;1-11-4-15(12-5-14(8-27-6-12)33-19(22)23)29-17-16(11)18(32)31(20(17)2-3-20)13-7-28-30(9-13)10-21(24,25)26;1-11-5-14(12-6-15(32-2)18(33-3)25-7-12)27-17-16(11)19(30)29(21(17,31)34-4)13-8-26-28(9-13)10-20(22,23)24;1-11-4-17(14-5-16(8-24-6-14)31-21(22)23)26-19-13(3)28(20(30)18(11)19)15-7-25-27(10-15)9-12(2)29;1-4-26-6-5-16(25-26)27-12(3)18-17(19(27)28)11(2)7-15(24-18)13-8-14(10-23-9-13)29-20(21)22;1-10-4-14(11-2-3-13(20)16(28)5-11)25-15-8-27(18(29)17(10)15)12-6-24-26(7-12)9-19(21,22)23;1-3-25-5-4-16(24-25)26-10-15-17(18(26)27)11(2)6-14(23-15)12-7-13(9-22-8-12)28-19(20)21;1-4-27-18-15(26-3)8-12(9-20-18)13-7-11(2)17-14(22-13)10-24(19(17)25)16-5-6-21-23-16;1-9-5-11(10-6-13(28-18(19)20)16(27-2)21-7-10)23-12-8-25(17(26)15(9)12)14-3-4-22-24-14;1-10-5-13(11-6-12(24-2)8-18-7-11)20-14-9-22(17(23)16(10)14)15-3-4-19-21-15/h8-13H,4-6,14H2,1-3H3;6-10,14,33H,4-5,11H2,1-3H3;7-11H,4-6,12H2,1-3H3;3-9,12,17,22H,10H2,1-2H3;6-9H,5,10-11H2,1-4H3;4-9,19H,2-3,10H2,1H3;5-9,31H,10H2,1-4H3;4-8,10,12-13,21,29H,9H2,1-3H3;5-10,12,20H,4H2,1-3H3;2-7,28H,8-9H2,1H3;4-9,19H,3,10H2,1-2H3;5-9H,4,10H2,1-3H3,(H,21,23);3-7,18H,8H2,1-2H3,(H,22,24);3-8H,9H2,1-2H3,(H,19,21)/t;;;;;;;12-,13?;;;;;;/m.......0....../s1
InChIKeyRDGIQARHWCDCEF-GXGSFTNUSA-N
MW5955.65 g/mol
LogP50.07
Rot. Bonds75

About 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 160592886) has the molecular formula C289H263F33N68O40 and a molecular weight of 5955.65 g/mol. Its IUPAC name is 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID160592886
Molecular FormulaC289H263F33N68O40
Molecular Weight5955.65 g/mol
Exact Mass5952.01
IUPAC Name7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ncc(-c2cc(C)c3c(n2)C2(CC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)cc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cncc(CCC#N)c2)C3=O)cc1OC.CCc1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)nn1CC(F)(F)F.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3C2C)n1.CCn1ccc(N2Cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3C2=O)n1.COc1cc(-c2cc(C)c3c(n2)C(O)(C2CC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C(O)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)cc1OC(F)F.Cc1cc(-c2ccc(F)c(O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(OCC(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CC1.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)C2C
InChIInChI=1S/C24H23N5O3.C23H22F3N5O4.C23H22F3N5O3.C22H18F4N4O3.C22H22F3N5O3.C21H16F5N5O2.C21H20F3N5O5.C21H21F2N5O3.C20H19F2N5O2.C19H14F4N4O2.C19H17F2N5O2.C19H19N5O3.C18H15F2N5O3.C17H15N5O2/c1-4-32-23-21(31-3)10-17(12-27-23)19-8-15(2)22-20(28-19)14-29(24(22)30)18-9-16(6-5-7-25)11-26-13-18;1-12-6-16(13-7-17(34-2)20(35-3)27-8-13)29-19-18(12)21(32)31(23(19,33)14-4-5-14)15-9-28-30(10-15)11-22(24,25)26;1-4-34-20-17(33-3)8-14(9-27-20)16-7-13(2)18-19(29-16)22(5-6-22)31(21(18)32)15-10-28-30(11-15)12-23(24,25)26;1-11-5-16(13-6-15(9-27-8-13)33-22(25)26)29-20-12(2)30(21(31)19(11)20)14-3-4-28-18(7-14)32-10-17(23)24;1-5-14-8-18(28-30(14)11-22(23,24)25)29-10-16-19(21(29)31)12(2)6-15(27-16)13-7-17(32-3)20(33-4)26-9-13;1-11-4-15(12-5-14(8-27-6-12)33-19(22)23)29-17-16(11)18(32)31(20(17)2-3-20)13-7-28-30(9-13)10-21(24,25)26;1-11-5-14(12-6-15(32-2)18(33-3)25-7-12)27-17-16(11)19(30)29(21(17,31)34-4)13-8-26-28(9-13)10-20(22,23)24;1-11-4-17(14-5-16(8-24-6-14)31-21(22)23)26-19-13(3)28(20(30)18(11)19)15-7-25-27(10-15)9-12(2)29;1-4-26-6-5-16(25-26)27-12(3)18-17(19(27)28)11(2)7-15(24-18)13-8-14(10-23-9-13)29-20(21)22;1-10-4-14(11-2-3-13(20)16(28)5-11)25-15-8-27(18(29)17(10)15)12-6-24-26(7-12)9-19(21,22)23;1-3-25-5-4-16(24-25)26-10-15-17(18(26)27)11(2)6-14(23-15)12-7-13(9-22-8-12)28-19(20)21;1-4-27-18-15(26-3)8-12(9-20-18)13-7-11(2)17-14(22-13)10-24(19(17)25)16-5-6-21-23-16;1-9-5-11(10-6-13(28-18(19)20)16(27-2)21-7-10)23-12-8-25(17(26)15(9)12)14-3-4-22-24-14;1-10-5-13(11-6-12(24-2)8-18-7-11)20-14-9-22(17(23)16(10)14)15-3-4-19-21-15/h8-13H,4-6,14H2,1-3H3;6-10,14,33H,4-5,11H2,1-3H3;7-11H,4-6,12H2,1-3H3;3-9,12,17,22H,10H2,1-2H3;6-9H,5,10-11H2,1-4H3;4-9,19H,2-3,10H2,1H3;5-9,31H,10H2,1-4H3;4-8,10,12-13,21,29H,9H2,1-3H3;5-10,12,20H,4H2,1-3H3;2-7,28H,8-9H2,1H3;4-9,19H,3,10H2,1-2H3;5-9H,4,10H2,1-3H3,(H,21,23);3-7,18H,8H2,1-2H3,(H,22,24);3-8H,9H2,1-2H3,(H,19,21)/t;;;;;;;12-,13?;;;;;;/m.......0....../s1
InChIKeyRDGIQARHWCDCEF-GXGSFTNUSA-N
XLogP50.07
TPSA1212.34 Ų
H-Bond Donors7
H-Bond Acceptors91
Rotatable Bonds75
Heavy Atoms430
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005955.65
LogP ≤ 550.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1091

Analyze 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 160592886) is 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is CCOc1ncc(-c2cc(C)c3c(n2)C2(CC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)cc1OC.CCOc1ncc(-c2cc(C)c3c(n2)CN(c2cncc(CCC#N)c2)C3=O)cc1OC.CCc1cc(N2Cc3nc(-c4cnc(OC)c(OC)c4)cc(C)c3C2=O)nn1CC(F)(F)F.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3C2C)n1.CCn1ccc(N2Cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3C2=O)n1.COc1cc(-c2cc(C)c3c(n2)C(O)(C2CC2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C(O)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)CN(c2ccn[nH]2)C3=O)cc1OC(F)F.Cc1cc(-c2ccc(F)c(O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1ccnc(OCC(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CC1.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)C2C.
What is the InChIKey of 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is RDGIQARHWCDCEF-GXGSFTNUSA-N. The full InChI is InChI=1S/C24H23N5O3.C23H22F3N5O4.C23H22F3N5O3.C22H18F4N4O3.C22H22F3N5O3.C21H16F5N5O2.C21H20F3N5O5.C21H21F2N5O3.C20H19F2N5O2.C19H14F4N4O2.C19H17F2N5O2.C19H19N5O3.C18H15F2N5O3.C17H15N5O2/c1-4-32-23-21(31-3)10-17(12-27-23)19-8-15(2)22-20(28-19)14-29(24(22)30)18-9-16(6-5-7-25)11-26-13-18;1-12-6-16(13-7-17(34-2)20(35-3)27-8-13)29-19-18(12)21(32)31(23(19,33)14-4-5-14)15-9-28-30(10-15)11-22(24,25)26;1-4-34-20-17(33-3)8-14(9-27-20)16-7-13(2)18-19(29-16)22(5-6-22)31(21(18)32)15-10-28-30(11-15)12-23(24,25)26;1-11-5-16(13-6-15(9-27-8-13)33-22(25)26)29-20-12(2)30(21(31)19(11)20)14-3-4-28-18(7-14)32-10-17(23)24;1-5-14-8-18(28-30(14)11-22(23,24)25)29-10-16-19(21(29)31)12(2)6-15(27-16)13-7-17(32-3)20(33-4)26-9-13;1-11-4-15(12-5-14(8-27-6-12)33-19(22)23)29-17-16(11)18(32)31(20(17)2-3-20)13-7-28-30(9-13)10-21(24,25)26;1-11-5-14(12-6-15(32-2)18(33-3)25-7-12)27-17-16(11)19(30)29(21(17,31)34-4)13-8-26-28(9-13)10-20(22,23)24;1-11-4-17(14-5-16(8-24-6-14)31-21(22)23)26-19-13(3)28(20(30)18(11)19)15-7-25-27(10-15)9-12(2)29;1-4-26-6-5-16(25-26)27-12(3)18-17(19(27)28)11(2)7-15(24-18)13-8-14(10-23-9-13)29-20(21)22;1-10-4-14(11-2-3-13(20)16(28)5-11)25-15-8-27(18(29)17(10)15)12-6-24-26(7-12)9-19(21,22)23;1-3-25-5-4-16(24-25)26-10-15-17(18(26)27)11(2)6-14(23-15)12-7-13(9-22-8-12)28-19(20)21;1-4-27-18-15(26-3)8-12(9-20-18)13-7-11(2)17-14(22-13)10-24(19(17)25)16-5-6-21-23-16;1-9-5-11(10-6-13(28-18(19)20)16(27-2)21-7-10)23-12-8-25(17(26)15(9)12)14-3-4-22-24-14;1-10-5-13(11-6-12(24-2)8-18-7-11)20-14-9-22(17(23)16(10)14)15-3-4-19-21-15/h8-13H,4-6,14H2,1-3H3;6-10,14,33H,4-5,11H2,1-3H3;7-11H,4-6,12H2,1-3H3;3-9,12,17,22H,10H2,1-2H3;6-9H,5,10-11H2,1-4H3;4-9,19H,2-3,10H2,1H3;5-9,31H,10H2,1-4H3;4-8,10,12-13,21,29H,9H2,1-3H3;5-10,12,20H,4H2,1-3H3;2-7,28H,8-9H2,1H3;4-9,19H,3,10H2,1-2H3;5-9H,4,10H2,1-3H3,(H,21,23);3-7,18H,8H2,1-2H3,(H,22,24);3-8H,9H2,1-2H3,(H,19,21)/t;;;;;;;12-,13?;;;;;;/m.......0....../s1.
What are the key properties of 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 5955.65 g/mol, XLogP of 50.07, 75 rotatable bonds, 7 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;6-[2-(2,2-difluoroethoxy)-4-pyridinyl]-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2'-[5-(difluoromethoxy)-3-pyridinyl]-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[5-ethyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;3-[5-[2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]propanenitrile;2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopropane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(4-fluoro-3-hydroxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 160592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).