2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

C272H263F37N64O36S3 — CID 159230660

IUPAC2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CC(O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(C[C@@H](O)[C@@H](O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)CO.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1COC1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1.Cc1cc(-c2cncc([S@@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C25H25F3N6O4.C25H27F3N6O4.C23H23F3N6O4S.C23H23F3N6O3.C23H22F3N5O4.C23H22F3N5O3.C23H22F3N5O2.2C22H20F3N5O3.C21H19F4N5O2.2C21H20F3N5O2S/c1-13-5-18(14-6-17(22(37-4)29-7-14)21(35)31-15-10-38-11-15)32-20-19(13)23(36)34(24(20,2)3)16-8-30-33(9-16)12-25(26,27)28;1-13-6-18(15-7-17(22(38-5)29-8-15)21(36)31-14(2)11-35)32-20-19(13)23(37)34(24(20,3)4)16-9-30-33(10-16)12-25(26,27)28;1-14-6-18(15-7-17(10-27-8-15)37(34,35)30(2)3)29-20-19(14)21(33)32(22(20)4-5-36-13-22)16-9-28-31(11-16)12-23(24,25)26;1-5-27-20(33)16-7-14(8-28-21(16)35-4)17-6-12(2)18-19(30-17)13(3)32(22(18)34)15-9-29-31(10-15)11-23(24,25)26;1-12-3-16(13-4-15(35-2)9-27-7-13)29-20-19(12)21(34)31(22(20)5-17(32)18(33)6-22)14-8-28-30(10-14)11-23(24,25)26;1-3-34-17-7-15(8-27-10-17)18-6-14(2)19-20(29-18)22(4-5-33-13-22)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-13-6-18(14-7-17(10-27-8-14)33-16-4-5-16)29-20-19(13)21(32)31(22(20,2)3)15-9-28-30(11-15)12-23(24,25)26;1-12-3-17(13-4-16(33-2)9-26-7-13)28-19-18(12)20(32)30(21(19)5-15(31)6-21)14-8-27-29(10-14)11-22(23,24)25;1-13-5-17(14-6-16(32-2)9-26-7-14)28-19-18(13)20(31)30(21(19)3-4-33-12-21)15-8-27-29(10-15)11-22(23,24)25;1-11-3-16(13-4-15(7-26-5-13)32-10-18(24)25)28-20-12(2)30(21(31)19(11)20)14-6-27-29(8-14)9-17(22)23;2*1-12-5-16(13-6-15(32(4)31)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24/h5-9,15H,10-12H2,1-4H3,(H,31,35);6-10,14,35H,11-12H2,1-5H3,(H,31,36);6-11H,4-5,12-13H2,1-3H3;6-10,13H,5,11H2,1-4H3,(H,27,33);3-4,7-10,17-18,32-33H,5-6,11H2,1-2H3;6-11H,3-5,12-13H2,1-2H3;6-11,16H,4-5,12H2,1-3H3;3-4,7-10,15,31H,5-6,11H2,1-2H3;5-10H,3-4,11-12H2,1-2H3;3-8,12,17-18H,9-10H2,1-2H3;2*5-10H,11H2,1-4H3/t;;;;17-,18+,22?;;;;;;2*32-/m..........10/s1
InChIKeyKSVVQHIMWLWVTP-LEZXEUOOSA-N
MW5803.64 g/mol
LogP42.71
Rot. Bonds61

About 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one

2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 159230660) has the molecular formula C272H263F37N64O36S3 and a molecular weight of 5803.64 g/mol. Its IUPAC name is 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
PubChem CID159230660
Molecular FormulaC272H263F37N64O36S3
Molecular Weight5803.64 g/mol
Exact Mass5799.93
IUPAC Name2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CC(O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(C[C@@H](O)[C@@H](O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)CO.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1COC1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1.Cc1cc(-c2cncc([S@@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C25H25F3N6O4.C25H27F3N6O4.C23H23F3N6O4S.C23H23F3N6O3.C23H22F3N5O4.C23H22F3N5O3.C23H22F3N5O2.2C22H20F3N5O3.C21H19F4N5O2.2C21H20F3N5O2S/c1-13-5-18(14-6-17(22(37-4)29-7-14)21(35)31-15-10-38-11-15)32-20-19(13)23(36)34(24(20,2)3)16-8-30-33(9-16)12-25(26,27)28;1-13-6-18(15-7-17(22(38-5)29-8-15)21(36)31-14(2)11-35)32-20-19(13)23(37)34(24(20,3)4)16-9-30-33(10-16)12-25(26,27)28;1-14-6-18(15-7-17(10-27-8-15)37(34,35)30(2)3)29-20-19(14)21(33)32(22(20)4-5-36-13-22)16-9-28-31(11-16)12-23(24,25)26;1-5-27-20(33)16-7-14(8-28-21(16)35-4)17-6-12(2)18-19(30-17)13(3)32(22(18)34)15-9-29-31(10-15)11-23(24,25)26;1-12-3-16(13-4-15(35-2)9-27-7-13)29-20-19(12)21(34)31(22(20)5-17(32)18(33)6-22)14-8-28-30(10-14)11-23(24,25)26;1-3-34-17-7-15(8-27-10-17)18-6-14(2)19-20(29-18)22(4-5-33-13-22)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-13-6-18(14-7-17(10-27-8-14)33-16-4-5-16)29-20-19(13)21(32)31(22(20,2)3)15-9-28-30(11-15)12-23(24,25)26;1-12-3-17(13-4-16(33-2)9-26-7-13)28-19-18(12)20(32)30(21(19)5-15(31)6-21)14-8-27-29(10-14)11-22(23,24)25;1-13-5-17(14-6-16(32-2)9-26-7-14)28-19-18(13)20(31)30(21(19)3-4-33-12-21)15-8-27-29(10-15)11-22(23,24)25;1-11-3-16(13-4-15(7-26-5-13)32-10-18(24)25)28-20-12(2)30(21(31)19(11)20)14-6-27-29(8-14)9-17(22)23;2*1-12-5-16(13-6-15(32(4)31)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24/h5-9,15H,10-12H2,1-4H3,(H,31,35);6-10,14,35H,11-12H2,1-5H3,(H,31,36);6-11H,4-5,12-13H2,1-3H3;6-10,13H,5,11H2,1-4H3,(H,27,33);3-4,7-10,17-18,32-33H,5-6,11H2,1-2H3;6-11H,3-5,12-13H2,1-2H3;6-11,16H,4-5,12H2,1-3H3;3-4,7-10,15,31H,5-6,11H2,1-2H3;5-10H,3-4,11-12H2,1-2H3;3-8,12,17-18H,9-10H2,1-2H3;2*5-10H,11H2,1-4H3/t;;;;17-,18+,22?;;;;;;2*32-/m..........10/s1
InChIKeyKSVVQHIMWLWVTP-LEZXEUOOSA-N
XLogP42.71
TPSA1126.65 Ų
H-Bond Donors7
H-Bond Acceptors84
Rotatable Bonds61
Heavy Atoms412
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005803.64
LogP ≤ 542.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1084

Analyze 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 159230660) is 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is CCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.CCOc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CC(O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(CCOC2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1cncc(-c2cc(C)c3c(n2)C2(C[C@@H](O)[C@@H](O)C2)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)CO.COc1ncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC1COC1.Cc1cc(-c2cncc(OC3CC3)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2C.Cc1cc(-c2cncc(S(=O)(=O)N(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C21CCOC1.Cc1cc(-c2cncc([S@@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc([S@](C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.
What is the InChIKey of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KSVVQHIMWLWVTP-LEZXEUOOSA-N. The full InChI is InChI=1S/C25H25F3N6O4.C25H27F3N6O4.C23H23F3N6O4S.C23H23F3N6O3.C23H22F3N5O4.C23H22F3N5O3.C23H22F3N5O2.2C22H20F3N5O3.C21H19F4N5O2.2C21H20F3N5O2S/c1-13-5-18(14-6-17(22(37-4)29-7-14)21(35)31-15-10-38-11-15)32-20-19(13)23(36)34(24(20,2)3)16-8-30-33(9-16)12-25(26,27)28;1-13-6-18(15-7-17(22(38-5)29-8-15)21(36)31-14(2)11-35)32-20-19(13)23(37)34(24(20,3)4)16-9-30-33(10-16)12-25(26,27)28;1-14-6-18(15-7-17(10-27-8-15)37(34,35)30(2)3)29-20-19(14)21(33)32(22(20)4-5-36-13-22)16-9-28-31(11-16)12-23(24,25)26;1-5-27-20(33)16-7-14(8-28-21(16)35-4)17-6-12(2)18-19(30-17)13(3)32(22(18)34)15-9-29-31(10-15)11-23(24,25)26;1-12-3-16(13-4-15(35-2)9-27-7-13)29-20-19(12)21(34)31(22(20)5-17(32)18(33)6-22)14-8-28-30(10-14)11-23(24,25)26;1-3-34-17-7-15(8-27-10-17)18-6-14(2)19-20(29-18)22(4-5-33-13-22)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-13-6-18(14-7-17(10-27-8-14)33-16-4-5-16)29-20-19(13)21(32)31(22(20,2)3)15-9-28-30(11-15)12-23(24,25)26;1-12-3-17(13-4-16(33-2)9-26-7-13)28-19-18(12)20(32)30(21(19)5-15(31)6-21)14-8-27-29(10-14)11-22(23,24)25;1-13-5-17(14-6-16(32-2)9-26-7-14)28-19-18(13)20(31)30(21(19)3-4-33-12-21)15-8-27-29(10-15)11-22(23,24)25;1-11-3-16(13-4-15(7-26-5-13)32-10-18(24)25)28-20-12(2)30(21(31)19(11)20)14-6-27-29(8-14)9-17(22)23;2*1-12-5-16(13-6-15(32(4)31)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24/h5-9,15H,10-12H2,1-4H3,(H,31,35);6-10,14,35H,11-12H2,1-5H3,(H,31,36);6-11H,4-5,12-13H2,1-3H3;6-10,13H,5,11H2,1-4H3,(H,27,33);3-4,7-10,17-18,32-33H,5-6,11H2,1-2H3;6-11H,3-5,12-13H2,1-2H3;6-11,16H,4-5,12H2,1-3H3;3-4,7-10,15,31H,5-6,11H2,1-2H3;5-10H,3-4,11-12H2,1-2H3;3-8,12,17-18H,9-10H2,1-2H3;2*5-10H,11H2,1-4H3/t;;;;17-,18+,22?;;;;;;2*32-/m..........10/s1.
What are the key properties of 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 5803.64 g/mol, XLogP of 42.71, 61 rotatable bonds, 7 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyloxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(3S,4R)-3,4-dihydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclopentane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;3-hydroxy-2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[cyclobutane-1,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-(1-hydroxypropan-2-yl)-2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;4,7,7-trimethyl-2-[5-[(R)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-[5-[(S)-methylsulfinyl]-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159230660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).