2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile

C248H232F23N59O34S — CID 158926056

About 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile

2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 158926056) has the molecular formula C248H232F23N59O34S and a molecular weight of 5051.98 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
• PubChem CID: 158926056
• Molecular Formula: C248H232F23N59O34S
• Molecular Weight: 5051.98 g/mol
• Exact Mass: 5048.76
• IUPAC Name: 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile
• SMILES: CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@H]2C)cn1.COc1cc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1cc(O)cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ccc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)cc1OC.COc1cccc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c1.COc1cccc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)[C@H]2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@@H](C)O)c1)C2.Cc1cc(-c2cncc(S(C)(=O)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C
• InChI: InChI=1S/2C23H23N5O3.C22H21N5O2.C21H23N5O4.C20H16F5N5O2.C20H18F3N5O4.C20H18F3N5O3S.C20H18F3N5O2.C20H17F3N4O3.C20H19F2N5O3.C20H19F2N5O2.C19H17F2N5O3/c1-14-8-17(15-6-7-19(30-4)20(9-15)31-5)26-18-12-27(22(29)21(14)18)16-10-25-28(11-16)23(2,3)13-24;1-14-9-17(16-7-6-8-19(30-4)21(16)31-5)26-18-12-27(22(29)20(14)18)15-10-25-28(11-15)23(2,3)13-24;1-14-8-18(15-6-5-7-17(9-15)29-4)25-19-12-26(21(28)20(14)19)16-10-24-27(11-16)22(2,3)13-23;1-12-5-16(14-6-18(29-3)20(30-4)22-7-14)24-17-11-26(21(28)19(12)17)15-8-23-25(10-15)9-13(2)27;1-10-3-15(12-4-14(7-26-5-12)32-19(21)22)28-17-11(2)30(18(31)16(10)17)13-6-27-29(8-13)9-20(23,24)25;1-10-4-13(11-5-14(31-2)17(32-3)24-6-11)26-16-15(10)18(29)28(19(16)30)12-7-25-27(8-12)9-20(21,22)23;1-11-4-16(13-5-15(8-24-6-13)32(3,30)31)26-18-12(2)28(19(29)17(11)18)14-7-25-27(9-14)10-20(21,22)23;1-3-30-15-5-13(6-24-8-15)16-4-12(2)18-17(26-16)10-28(19(18)29)14-7-25-27(9-14)11-20(21,22)23;1-11-3-16(12-4-14(28)6-15(5-12)30-2)25-17-9-27(19(29)18(11)17)13-7-24-26(8-13)10-20(21,22)23;1-11-3-16(13-4-15(7-23-5-13)30-20(21)22)25-17-10-27(19(29)18(11)17)14-6-24-26(9-14)8-12(2)28;1-4-26-10-14(8-24-26)27-12(3)18-17(19(27)28)11(2)5-16(25-18)13-6-15(9-23-7-13)29-20(21)22;1-10-4-13(11-5-15(29-19(20)21)17(28-3)22-6-11)24-14-9-26(18(27)16(10)14)12-7-23-25(2)8-12/h2*6-11H,12H2,1-5H3;5-11H,12H2,1-4H3;5-8,10,13,27H,9,11H2,1-4H3;3-8,11,19H,9H2,1-2H3;4-8,19,30H,9H2,1-3H3;4-9,12H,10H2,1-3H3;4-9H,3,10-11H2,1-2H3;3-8,28H,9-10H2,1-2H3;3-7,9,12,20,28H,8,10H2,1-2H3;5-10,12,20H,4H2,1-3H3;4-8,19H,9H2,1-3H3/t;;;13-;11-;;;;;2*12-;/m...10....11./s1
• InChIKey: JILLEPOKCIMHRJ-VIDJCKNBSA-N
• XLogP: 41.21
• TPSA: 1049.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 81
• Rotatable Bonds: 59
• Heavy Atoms: 365
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5051.98
LogP ≤ 5	41.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	81

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?

The IUPAC name of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile (CID 158926056) is 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile.

What is the SMILES notation for 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?

The canonical SMILES for 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile is CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2C(=O)c3c(C)cc(-c4cncc(OC(F)F)c4)nc3[C@H]2C)cn1.COc1cc(-c2cc(C)c3c(n2)C(O)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)CN(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1cc(O)cc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ccc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)cc1OC.COc1cccc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c1.COc1cccc(-c2cc(C)c3c(n2)CN(c2cnn(C(C)(C)C#N)c2)C3=O)c1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(C)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)[C@H]2C.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@@H](C)O)c1)C2.Cc1cc(-c2cncc(S(C)(=O)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2C.

What is the InChIKey of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?

The InChIKey is JILLEPOKCIMHRJ-VIDJCKNBSA-N. The full InChI is InChI=1S/2C23H23N5O3.C22H21N5O2.C21H23N5O4.C20H16F5N5O2.C20H18F3N5O4.C20H18F3N5O3S.C20H18F3N5O2.C20H17F3N4O3.C20H19F2N5O3.C20H19F2N5O2.C19H17F2N5O3/c1-14-8-17(15-6-7-19(30-4)20(9-15)31-5)26-18-12-27(22(29)21(14)18)16-10-25-28(11-16)23(2,3)13-24;1-14-9-17(16-7-6-8-19(30-4)21(16)31-5)26-18-12-27(22(29)20(14)18)15-10-25-28(11-15)23(2,3)13-24;1-14-8-18(15-6-5-7-17(9-15)29-4)25-19-12-26(21(28)20(14)19)16-10-24-27(11-16)22(2,3)13-23;1-12-5-16(14-6-18(29-3)20(30-4)22-7-14)24-17-11-26(21(28)19(12)17)15-8-23-25(10-15)9-13(2)27;1-10-3-15(12-4-14(7-26-5-12)32-19(21)22)28-17-11(2)30(18(31)16(10)17)13-6-27-29(8-13)9-20(23,24)25;1-10-4-13(11-5-14(31-2)17(32-3)24-6-11)26-16-15(10)18(29)28(19(16)30)12-7-25-27(8-12)9-20(21,22)23;1-11-4-16(13-5-15(8-24-6-13)32(3,30)31)26-18-12(2)28(19(29)17(11)18)14-7-25-27(9-14)10-20(21,22)23;1-3-30-15-5-13(6-24-8-15)16-4-12(2)18-17(26-16)10-28(19(18)29)14-7-25-27(9-14)11-20(21,22)23;1-11-3-16(12-4-14(28)6-15(5-12)30-2)25-17-9-27(19(29)18(11)17)13-7-24-26(8-13)10-20(21,22)23;1-11-3-16(13-4-15(7-23-5-13)30-20(21)22)25-17-10-27(19(29)18(11)17)14-6-24-26(9-14)8-12(2)28;1-4-26-10-14(8-24-26)27-12(3)18-17(19(27)28)11(2)5-16(25-18)13-6-15(9-23-7-13)29-20(21)22;1-10-4-13(11-5-15(29-19(20)21)17(28-3)22-6-11)24-14-9-26(18(27)16(10)14)12-7-23-25(2)8-12/h2*6-11H,12H2,1-5H3;5-11H,12H2,1-4H3;5-8,10,13,27H,9,11H2,1-4H3;3-8,11,19H,9H2,1-2H3;4-8,19,30H,9H2,1-3H3;4-9,12H,10H2,1-3H3;4-9H,3,10-11H2,1-2H3;3-8,28H,9-10H2,1-2H3;3-7,9,12,20,28H,8,10H2,1-2H3;5-10,12,20H,4H2,1-3H3;4-8,19H,9H2,1-3H3/t;;;13-;11-;;;;;2*12-;/m...10....11./s1.

What are the key properties of 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile?

2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 5051.98 g/mol, XLogP of 41.21, 59 rotatable bonds, 4 hydrogen bond donors, and 81 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(2,3-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3-hydroxy-5-methoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(3-methoxyphenyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 158926056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).