5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one

C304H295F38N61O38 — CID 159944844

IUPAC5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
SMILESCCC1(OC)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OCC.CCOc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@@H]2C)n1.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@H]2C)n1.COc1cc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1ccc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1F.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cncc(CO)c2)cc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)[C@@H]2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)[C@H]2C.Cc1cncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1
InChIInChI=1S/C24H25F3N4O3.C23H24F3N5O4.C23H23F3N4O3.C23H22F3N3O3.C22H19F5N4O3.C22H21F3N4O3.C22H25N5O4.C21H18F4N4O2.C21H19F3N4O2.C21H19F3N4O.2C21H21F2N5O3.2C20H19F2N5O2/c1-5-33-20-9-17(10-28-22(20)34-6-2)16-7-14(3)21-19(8-16)15(4)31(23(21)32)18-11-29-30(12-18)13-24(25,26)27;1-6-22(35-5)19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-5-33-21-19(32-4)8-16(9-27-21)15-6-13(2)20-18(7-15)14(3)30(22(20)31)17-10-28-29(11-17)12-23(24,25)26;1-13-7-16(15-5-6-19(31-3)20(9-15)32-4)8-18-14(2)29(22(30)21(13)18)17-10-27-28(11-17)12-23(24,25)26;1-11-4-13(14-6-17(34-21(23)24)19(33-3)28-7-14)5-16-12(2)31(20(32)18(11)16)15-8-29-30(9-15)10-22(25,26)27;1-12-5-14(15-7-18(31-3)20(32-4)26-8-15)6-17-13(2)29(21(30)19(12)17)16-9-27-28(10-16)11-22(23,24)25;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;1-11-4-13(14-6-17(22)19(31-3)26-7-14)5-16-12(2)29(20(30)18(11)16)15-8-27-28(9-15)10-21(23,24)25;1-12-3-15(16-4-14(10-29)6-25-7-16)5-18-13(2)28(20(30)19(12)18)17-8-26-27(9-17)11-21(22,23)24;1-12-4-16(8-25-7-12)15-5-13(2)19-18(6-15)14(3)28(20(19)29)17-9-26-27(10-17)11-21(22,23)24;2*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;2*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/h7-12,15H,5-6,13H2,1-4H3;7-11H,6,12H2,1-5H3;6-11,14H,5,12H2,1-4H3;5-11,14H,12H2,1-4H3;4-9,12,21H,10H2,1-3H3;5-10,13H,11H2,1-4H3;6-9,11,13-14,28H,10H2,1-5H3;4-9,12H,10H2,1-3H3;3-9,13,29H,10-11H2,1-2H3;4-10,14H,11H2,1-3H3;2*4-8,10,12-13,21,29H,9H2,1-3H3;2*5-10,12,20H,4H2,1-3H3/t;;;;;;13-,14?;;;;12-,13+;12-,13-;2*12-/m......1...0010/s1
InChIKeyOBIWEIMMJKYFRY-RPIGXUFZSA-N
MW6133.02 g/mol
LogP60.25
Rot. Bonds75

About 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one

5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one (PubChem CID 159944844) has the molecular formula C304H295F38N61O38 and a molecular weight of 6133.02 g/mol. Its IUPAC name is 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
PubChem CID159944844
Molecular FormulaC304H295F38N61O38
Molecular Weight6133.02 g/mol
Exact Mass6129.24
IUPAC Name5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
SMILESCCC1(OC)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OCC.CCOc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@@H]2C)n1.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@H]2C)n1.COc1cc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1ccc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1F.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cncc(CO)c2)cc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)[C@@H]2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)[C@H]2C.Cc1cncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1
InChIInChI=1S/C24H25F3N4O3.C23H24F3N5O4.C23H23F3N4O3.C23H22F3N3O3.C22H19F5N4O3.C22H21F3N4O3.C22H25N5O4.C21H18F4N4O2.C21H19F3N4O2.C21H19F3N4O.2C21H21F2N5O3.2C20H19F2N5O2/c1-5-33-20-9-17(10-28-22(20)34-6-2)16-7-14(3)21-19(8-16)15(4)31(23(21)32)18-11-29-30(12-18)13-24(25,26)27;1-6-22(35-5)19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-5-33-21-19(32-4)8-16(9-27-21)15-6-13(2)20-18(7-15)14(3)30(22(20)31)17-10-28-29(11-17)12-23(24,25)26;1-13-7-16(15-5-6-19(31-3)20(9-15)32-4)8-18-14(2)29(22(30)21(13)18)17-10-27-28(11-17)12-23(24,25)26;1-11-4-13(14-6-17(34-21(23)24)19(33-3)28-7-14)5-16-12(2)31(20(32)18(11)16)15-8-29-30(9-15)10-22(25,26)27;1-12-5-14(15-7-18(31-3)20(32-4)26-8-15)6-17-13(2)29(21(30)19(12)17)16-9-27-28(10-16)11-22(23,24)25;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;1-11-4-13(14-6-17(22)19(31-3)26-7-14)5-16-12(2)29(20(30)18(11)16)15-8-27-28(9-15)10-21(23,24)25;1-12-3-15(16-4-14(10-29)6-25-7-16)5-18-13(2)28(20(30)19(12)18)17-8-26-27(9-17)11-21(22,23)24;1-12-4-16(8-25-7-12)15-5-13(2)19-18(6-15)14(3)28(20(19)29)17-9-26-27(10-17)11-21(22,23)24;2*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;2*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/h7-12,15H,5-6,13H2,1-4H3;7-11H,6,12H2,1-5H3;6-11,14H,5,12H2,1-4H3;5-11,14H,12H2,1-4H3;4-9,12,21H,10H2,1-3H3;5-10,13H,11H2,1-4H3;6-9,11,13-14,28H,10H2,1-5H3;4-9,12H,10H2,1-3H3;3-9,13,29H,10-11H2,1-2H3;4-10,14H,11H2,1-3H3;2*4-8,10,12-13,21,29H,9H2,1-3H3;2*5-10,12,20H,4H2,1-3H3/t;;;;;;13-,14?;;;;12-,13+;12-,13-;2*12-/m......1...0010/s1
InChIKeyOBIWEIMMJKYFRY-RPIGXUFZSA-N
XLogP60.25
TPSA1044.25 Ų
H-Bond Donors4
H-Bond Acceptors85
Rotatable Bonds75
Heavy Atoms441
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006133.02
LogP ≤ 560.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1085

Analyze 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
The IUPAC name of 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one (CID 159944844) is 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one is CCC1(OC)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OCC.CCOc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@@H]2C)n1.CCn1ccc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@H]2C)n1.COc1cc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1ccc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1F.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cncc(CO)c2)cc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)[C@@H]2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)[C@H]2C.Cc1cncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.
What is the InChIKey of 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
The InChIKey is OBIWEIMMJKYFRY-RPIGXUFZSA-N. The full InChI is InChI=1S/C24H25F3N4O3.C23H24F3N5O4.C23H23F3N4O3.C23H22F3N3O3.C22H19F5N4O3.C22H21F3N4O3.C22H25N5O4.C21H18F4N4O2.C21H19F3N4O2.C21H19F3N4O.2C21H21F2N5O3.2C20H19F2N5O2/c1-5-33-20-9-17(10-28-22(20)34-6-2)16-7-14(3)21-19(8-16)15(4)31(23(21)32)18-11-29-30(12-18)13-24(25,26)27;1-6-22(35-5)19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-5-33-21-19(32-4)8-16(9-27-21)15-6-13(2)20-18(7-15)14(3)30(22(20)31)17-10-28-29(11-17)12-23(24,25)26;1-13-7-16(15-5-6-19(31-3)20(9-15)32-4)8-18-14(2)29(22(30)21(13)18)17-10-27-28(11-17)12-23(24,25)26;1-11-4-13(14-6-17(34-21(23)24)19(33-3)28-7-14)5-16-12(2)31(20(32)18(11)16)15-8-29-30(9-15)10-22(25,26)27;1-12-5-14(15-7-18(31-3)20(32-4)26-8-15)6-17-13(2)29(21(30)19(12)17)16-9-27-28(10-16)11-22(23,24)25;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;1-11-4-13(14-6-17(22)19(31-3)26-7-14)5-16-12(2)29(20(30)18(11)16)15-8-27-28(9-15)10-21(23,24)25;1-12-3-15(16-4-14(10-29)6-25-7-16)5-18-13(2)28(20(30)19(12)18)17-8-26-27(9-17)11-21(22,23)24;1-12-4-16(8-25-7-12)15-5-13(2)19-18(6-15)14(3)28(20(19)29)17-9-26-27(10-17)11-21(22,23)24;2*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;2*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/h7-12,15H,5-6,13H2,1-4H3;7-11H,6,12H2,1-5H3;6-11,14H,5,12H2,1-4H3;5-11,14H,12H2,1-4H3;4-9,12,21H,10H2,1-3H3;5-10,13H,11H2,1-4H3;6-9,11,13-14,28H,10H2,1-5H3;4-9,12H,10H2,1-3H3;3-9,13,29H,10-11H2,1-2H3;4-10,14H,11H2,1-3H3;2*4-8,10,12-13,21,29H,9H2,1-3H3;2*5-10,12,20H,4H2,1-3H3/t;;;;;;13-,14?;;;;12-,13+;12-,13-;2*12-/m......1...0010/s1.
What are the key properties of 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one?
5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one has a molecular weight of 6133.02 g/mol, XLogP of 60.25, 75 rotatable bonds, 4 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-diethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-3-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(3,4-dimethoxyphenyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;3,7-dimethyl-5-(5-methyl-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5-fluoro-6-methoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-[5-(hydroxymethyl)-3-pyridinyl]-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 159944844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).