6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid

C292H282F28N70O42 — CID 160575591

IUPAC6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
SMILESC=C(F)Cn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC)c4)nc3C2(C)C)cn1.CCOc1cncc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)[C@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC(F)F)c4)nc3C2C)cn1.CCn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC)c4)nc3C2C)cn1.COc1cc(-c2cc(C)c3c(n2)[C@@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)[C@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)C(C)N(c2ccn(C[C@@H](C)O)n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)C(C)N(c2ccn(C[C@H](C)O)n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C4CC4)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(C(=O)N(C)C(C)CO)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(C(=O)O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C)c1)C2C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C
InChIInChI=1S/C23H23F3N6O3.2C22H22F3N5O4.C22H22FN5O3.C21H18F5N5O2.C21H20F3N5O2.C21H19F3N4O2.2C21H23N5O4.C20H19F2N5O3.C20H19N5O3.C20H21N5O3.C19H14F3N5O3.C19H17F2N5O2/c1-13-4-18(15-5-16(7-27-6-15)21(34)30(3)14(2)11-33)29-19-10-32(22(35)20(13)19)17-8-28-31(9-17)12-23(24,25)26;2*1-12-6-15(13-7-16(32-3)19(33-4)26-8-13)28-18-17(12)20(31)30(21(18,2)34-5)14-9-27-29(10-14)11-22(23,24)25;1-13(23)11-27-12-15(10-25-27)28-21(29)16-6-7-17(26-19(16)22(28,2)3)14-8-18(30-4)20(31-5)24-9-14;1-11-3-16(13-4-15(7-27-5-13)33-9-17(22)23)29-19-12(2)31(20(32)18(11)19)14-6-28-30(8-14)10-21(24,25)26;1-4-31-16-6-14(7-25-9-16)17-5-12(2)18-19(27-17)13(3)29(20(18)30)15-8-26-28(10-15)11-21(22,23)24;1-3-30-18-6-15(7-25-9-18)14-4-13(2)19-16(5-14)10-28(20(19)29)17-8-26-27(11-17)12-21(22,23)24;2*1-12(27)11-25-8-7-18(24-25)26-13(2)19-15(21(26)28)5-6-16(23-19)14-9-17(29-3)20(30-4)22-10-14;1-4-26-10-13(9-24-26)27-11(2)17-14(19(27)28)5-6-15(25-17)12-7-16(30-20(21)22)18(29-3)23-8-12;1-27-18-7-12(8-21-19(18)28-2)16-6-5-15-17(23-16)11-24(20(15)26)14-9-22-25(10-14)13-3-4-13;1-5-24-11-14(10-22-24)25-12(2)18-15(20(25)26)6-7-16(23-18)13-8-17(27-3)19(28-4)21-9-13;1-10-2-14(11-3-12(18(29)30)5-23-4-11)25-15-8-27(17(28)16(10)15)13-6-24-26(7-13)9-19(20,21)22;1-10-4-15(12-5-14(8-22-6-12)28-19(20)21)24-17-11(2)26(18(27)16(10)17)13-7-23-25(3)9-13/h4-9,14,33H,10-12H2,1-3H3;2*6-10H,11H2,1-5H3;6-10,12H,1,11H2,2-5H3;3-8,12,17H,9-10H2,1-2H3;5-10,13H,4,11H2,1-3H3;4-9,11H,3,10,12H2,1-2H3;2*5-10,12-13,27H,11H2,1-4H3;5-11,20H,4H2,1-3H3;5-10,13H,3-4,11H2,1-2H3;6-12H,5H2,1-4H3;2-7H,8-9H2,1H3,(H,29,30);4-9,11,19H,1-3H3/t;2*21-;;;13-;;2*12-,13?;;;;;/m.10..0.10...../s1
InChIKeyRBCKJPRSYNCGAZ-LFDYTHGMSA-N
MW5975.86 g/mol
LogP48.40
Rot. Bonds76

About 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid

6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid (PubChem CID 160575591) has the molecular formula C292H282F28N70O42 and a molecular weight of 5975.86 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
PubChem CID160575591
Molecular FormulaC292H282F28N70O42
Molecular Weight5975.86 g/mol
Exact Mass5972.16
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
SMILESC=C(F)Cn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC)c4)nc3C2(C)C)cn1.CCOc1cncc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)[C@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC(F)F)c4)nc3C2C)cn1.CCn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC)c4)nc3C2C)cn1.COc1cc(-c2cc(C)c3c(n2)[C@@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)[C@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)C(C)N(c2ccn(C[C@@H](C)O)n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)C(C)N(c2ccn(C[C@H](C)O)n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C4CC4)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(C(=O)N(C)C(C)CO)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(C(=O)O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C)c1)C2C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C
InChIInChI=1S/C23H23F3N6O3.2C22H22F3N5O4.C22H22FN5O3.C21H18F5N5O2.C21H20F3N5O2.C21H19F3N4O2.2C21H23N5O4.C20H19F2N5O3.C20H19N5O3.C20H21N5O3.C19H14F3N5O3.C19H17F2N5O2/c1-13-4-18(15-5-16(7-27-6-15)21(34)30(3)14(2)11-33)29-19-10-32(22(35)20(13)19)17-8-28-31(9-17)12-23(24,25)26;2*1-12-6-15(13-7-16(32-3)19(33-4)26-8-13)28-18-17(12)20(31)30(21(18,2)34-5)14-9-27-29(10-14)11-22(23,24)25;1-13(23)11-27-12-15(10-25-27)28-21(29)16-6-7-17(26-19(16)22(28,2)3)14-8-18(30-4)20(31-5)24-9-14;1-11-3-16(13-4-15(7-27-5-13)33-9-17(22)23)29-19-12(2)31(20(32)18(11)19)14-6-28-30(8-14)10-21(24,25)26;1-4-31-16-6-14(7-25-9-16)17-5-12(2)18-19(27-17)13(3)29(20(18)30)15-8-26-28(10-15)11-21(22,23)24;1-3-30-18-6-15(7-25-9-18)14-4-13(2)19-16(5-14)10-28(20(19)29)17-8-26-27(11-17)12-21(22,23)24;2*1-12(27)11-25-8-7-18(24-25)26-13(2)19-15(21(26)28)5-6-16(23-19)14-9-17(29-3)20(30-4)22-10-14;1-4-26-10-13(9-24-26)27-11(2)17-14(19(27)28)5-6-15(25-17)12-7-16(30-20(21)22)18(29-3)23-8-12;1-27-18-7-12(8-21-19(18)28-2)16-6-5-15-17(23-16)11-24(20(15)26)14-9-22-25(10-14)13-3-4-13;1-5-24-11-14(10-22-24)25-12(2)18-15(20(25)26)6-7-16(23-18)13-8-17(27-3)19(28-4)21-9-13;1-10-2-14(11-3-12(18(29)30)5-23-4-11)25-15-8-27(17(28)16(10)15)13-6-24-26(7-13)9-19(20,21)22;1-10-4-15(12-5-14(8-22-6-12)28-19(20)21)24-17-11(2)26(18(27)16(10)17)13-7-23-25(3)9-13/h4-9,14,33H,10-12H2,1-3H3;2*6-10H,11H2,1-5H3;6-10,12H,1,11H2,2-5H3;3-8,12,17H,9-10H2,1-2H3;5-10,13H,4,11H2,1-3H3;4-9,11H,3,10,12H2,1-2H3;2*5-10,12-13,27H,11H2,1-4H3;5-11,20H,4H2,1-3H3;5-10,13H,3-4,11H2,1-2H3;6-12H,5H2,1-4H3;2-7H,8-9H2,1H3,(H,29,30);4-9,11,19H,1-3H3/t;2*21-;;;13-;;2*12-,13?;;;;;/m.10..0.10...../s1
InChIKeyRBCKJPRSYNCGAZ-LFDYTHGMSA-N
XLogP48.40
TPSA1203.21 Ų
H-Bond Donors4
H-Bond Acceptors96
Rotatable Bonds76
Heavy Atoms432
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005975.86
LogP ≤ 548.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1096

Analyze 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid (CID 160575591) is 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid is C=C(F)Cn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC)c4)nc3C2(C)C)cn1.CCOc1cncc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)[C@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC(F)F)c4)nc3C2C)cn1.CCn1cc(N2C(=O)c3ccc(-c4cnc(OC)c(OC)c4)nc3C2C)cn1.COc1cc(-c2cc(C)c3c(n2)[C@@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)[C@](C)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)C(C)N(c2ccn(C[C@@H](C)O)n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)C(C)N(c2ccn(C[C@H](C)O)n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C4CC4)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(C(=O)N(C)C(C)CO)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(C(=O)O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C)c1)C2C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is RBCKJPRSYNCGAZ-LFDYTHGMSA-N. The full InChI is InChI=1S/C23H23F3N6O3.2C22H22F3N5O4.C22H22FN5O3.C21H18F5N5O2.C21H20F3N5O2.C21H19F3N4O2.2C21H23N5O4.C20H19F2N5O3.C20H19N5O3.C20H21N5O3.C19H14F3N5O3.C19H17F2N5O2/c1-13-4-18(15-5-16(7-27-6-15)21(34)30(3)14(2)11-33)29-19-10-32(22(35)20(13)19)17-8-28-31(9-17)12-23(24,25)26;2*1-12-6-15(13-7-16(32-3)19(33-4)26-8-13)28-18-17(12)20(31)30(21(18,2)34-5)14-9-27-29(10-14)11-22(23,24)25;1-13(23)11-27-12-15(10-25-27)28-21(29)16-6-7-17(26-19(16)22(28,2)3)14-8-18(30-4)20(31-5)24-9-14;1-11-3-16(13-4-15(7-27-5-13)33-9-17(22)23)29-19-12(2)31(20(32)18(11)19)14-6-28-30(8-14)10-21(24,25)26;1-4-31-16-6-14(7-25-9-16)17-5-12(2)18-19(27-17)13(3)29(20(18)30)15-8-26-28(10-15)11-21(22,23)24;1-3-30-18-6-15(7-25-9-18)14-4-13(2)19-16(5-14)10-28(20(19)29)17-8-26-27(11-17)12-21(22,23)24;2*1-12(27)11-25-8-7-18(24-25)26-13(2)19-15(21(26)28)5-6-16(23-19)14-9-17(29-3)20(30-4)22-10-14;1-4-26-10-13(9-24-26)27-11(2)17-14(19(27)28)5-6-15(25-17)12-7-16(30-20(21)22)18(29-3)23-8-12;1-27-18-7-12(8-21-19(18)28-2)16-6-5-15-17(23-16)11-24(20(15)26)14-9-22-25(10-14)13-3-4-13;1-5-24-11-14(10-22-24)25-12(2)18-15(20(25)26)6-7-16(23-18)13-8-17(27-3)19(28-4)21-9-13;1-10-2-14(11-3-12(18(29)30)5-23-4-11)25-15-8-27(17(28)16(10)15)13-6-24-26(7-13)9-19(20,21)22;1-10-4-15(12-5-14(8-22-6-12)28-19(20)21)24-17-11(2)26(18(27)16(10)17)13-7-23-25(3)9-13/h4-9,14,33H,10-12H2,1-3H3;2*6-10H,11H2,1-5H3;6-10,12H,1,11H2,2-5H3;3-8,12,17H,9-10H2,1-2H3;5-10,13H,4,11H2,1-3H3;4-9,11H,3,10,12H2,1-2H3;2*5-10,12-13,27H,11H2,1-4H3;5-11,20H,4H2,1-3H3;5-10,13H,3-4,11H2,1-2H3;6-12H,5H2,1-4H3;2-7H,8-9H2,1H3,(H,29,30);4-9,11,19H,1-3H3/t;2*21-;;;13-;;2*12-,13?;;;;;/m.10..0.10...../s1.
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid?
6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 5975.86 g/mol, XLogP of 48.40, 76 rotatable bonds, 4 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-fluoroprop-2-enyl)pyrazol-4-yl]-7,7-dimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;N-(1-hydroxypropan-2-yl)-N-methyl-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160575591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).