2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one

C244H226F20N58O30 — CID 161367567

About 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one

2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 161367567) has the molecular formula C244H226F20N58O30 and a molecular weight of 4830.83 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 161367567
• Molecular Formula: C244H226F20N58O30
• Molecular Weight: 4830.83 g/mol
• Exact Mass: 4827.76
• IUPAC Name: 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: CCC1(O)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2Cc3nc(-c4ccc(OC)c(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cccc(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(F)F)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(F)F)c4)ccc3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cncc(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cncc(OCC(F)(F)F)c4)cc(C)c3C2=O)cn1.COc1cc(-c2ccc3c(n2)CN(c2ccnc(C(C)(C)C#N)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cnc3ccccc3c2)nc2c1C(=O)N(c1cn[nH]c1)C2
• InChI: InChI=1S/C23H21N5O3.C22H22F3N5O4.C21H18F5N5O3.C21H22N4O3.2C20H18F3N5O2.C20H19F2N5O3.C20H15N5O.C20H20N4O2.C19H17F2N5O3.C19H17F2N5O2.C19H19N5O2/c1-23(2,13-24)20-10-15(7-8-25-20)28-12-18-16(22(28)29)5-6-17(27-18)14-9-19(30-3)21(31-4)26-11-14;1-5-21(32)18-17(20(31)30(21)14-9-27-29(10-14)11-22(23,24)25)12(2)6-15(28-18)13-7-16(33-3)19(34-4)26-8-13;1-10-4-14(12-5-15(34-20(22)23)18(33-3)27-6-12)29-17-11(2)31(19(32)16(10)17)13-7-28-30(8-13)9-21(24,25)26;1-5-24-11-15(10-22-24)25-12-17-20(21(25)26)13(2)8-16(23-17)14-6-7-18(27-3)19(9-14)28-4;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;1-3-27-9-14(7-25-27)28-10-17-18(19(28)29)12(2)4-16(26-17)13-5-15(8-24-6-13)30-11-20(21,22)23;1-4-26-9-13(8-24-26)27-10-15-17(19(27)28)11(2)5-14(25-15)12-6-16(30-20(21)22)18(29-3)23-7-12;1-12-6-17(14-7-13-4-2-3-5-16(13)21-8-14)24-18-11-25(20(26)19(12)18)15-9-22-23-10-15;1-4-23-11-15(10-21-23)24-12-18-19(20(24)25)13(2)8-17(22-18)14-6-5-7-16(9-14)26-3;1-3-25-9-12(8-23-25)26-10-15-13(18(26)27)4-5-14(24-15)11-6-16(29-19(20)21)17(28-2)22-7-11;1-3-25-9-13(7-23-25)26-10-16-17(18(26)27)11(2)4-15(24-16)12-5-14(8-22-6-12)28-19(20)21;1-4-23-10-14(8-21-23)24-11-17-18(19(24)25)12(2)5-16(22-17)13-6-15(26-3)9-20-7-13/h5-11H,12H2,1-4H3;6-10,32H,5,11H2,1-4H3;4-8,11,20H,9H2,1-3H3;6-11H,5,12H2,1-4H3;2*4-9H,3,10-11H2,1-2H3;5-9,20H,4,10H2,1-3H3;2-10H,11H2,1H3,(H,22,23);5-11H,4,12H2,1-3H3;4-9,19H,3,10H2,1-2H3;4-9,19H,3,10H2,1-2H3;5-10H,4,11H2,1-3H3
• InChIKey: VQABXFHIQAROLM-UHFFFAOYSA-N
• XLogP: 42.26
• TPSA: 948.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 75
• Rotatable Bonds: 59
• Heavy Atoms: 352
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4830.83
LogP ≤ 5	42.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

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

The IUPAC name of 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 161367567) is 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

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

The canonical SMILES for 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one is CCC1(O)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCn1cc(N2Cc3nc(-c4ccc(OC)c(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cccc(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(F)F)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cnc(OC)c(OC(F)F)c4)ccc3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cncc(OC(F)F)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cncc(OC)c4)cc(C)c3C2=O)cn1.CCn1cc(N2Cc3nc(-c4cncc(OCC(F)(F)F)c4)cc(C)c3C2=O)cn1.COc1cc(-c2ccc3c(n2)CN(c2ccnc(C(C)(C)C#N)c2)C3=O)cnc1OC.COc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC(F)F.Cc1cc(-c2cnc3ccccc3c2)nc2c1C(=O)N(c1cn[nH]c1)C2.

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

The InChIKey is VQABXFHIQAROLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.C22H22F3N5O4.C21H18F5N5O3.C21H22N4O3.2C20H18F3N5O2.C20H19F2N5O3.C20H15N5O.C20H20N4O2.C19H17F2N5O3.C19H17F2N5O2.C19H19N5O2/c1-23(2,13-24)20-10-15(7-8-25-20)28-12-18-16(22(28)29)5-6-17(27-18)14-9-19(30-3)21(31-4)26-11-14;1-5-21(32)18-17(20(31)30(21)14-9-27-29(10-14)11-22(23,24)25)12(2)6-15(28-18)13-7-16(33-3)19(34-4)26-8-13;1-10-4-14(12-5-15(34-20(22)23)18(33-3)27-6-12)29-17-11(2)31(19(32)16(10)17)13-7-28-30(8-13)9-21(24,25)26;1-5-24-11-15(10-22-24)25-12-17-20(21(25)26)13(2)8-16(23-17)14-6-7-18(27-3)19(9-14)28-4;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;1-3-27-9-14(7-25-27)28-10-17-18(19(28)29)12(2)4-16(26-17)13-5-15(8-24-6-13)30-11-20(21,22)23;1-4-26-9-13(8-24-26)27-10-15-17(19(27)28)11(2)5-14(25-15)12-6-16(30-20(21)22)18(29-3)23-7-12;1-12-6-17(14-7-13-4-2-3-5-16(13)21-8-14)24-18-11-25(20(26)19(12)18)15-9-22-23-10-15;1-4-23-11-15(10-21-23)24-12-18-19(20(24)25)13(2)8-17(22-18)14-6-5-7-16(9-14)26-3;1-3-25-9-12(8-23-25)26-10-15-13(18(26)27)4-5-14(24-15)11-6-16(29-19(20)21)17(28-2)22-7-11;1-3-25-9-13(7-23-25)26-10-16-17(18(26)27)11(2)4-15(24-16)12-5-14(8-22-6-12)28-19(20)21;1-4-23-10-14(8-21-23)24-11-17-18(19(24)25)12(2)5-16(22-17)13-6-15(26-3)9-20-7-13/h5-11H,12H2,1-4H3;6-10,32H,5,11H2,1-4H3;4-8,11,20H,9H2,1-3H3;6-11H,5,12H2,1-4H3;2*4-9H,3,10-11H2,1-2H3;5-9,20H,4,10H2,1-3H3;2-10H,11H2,1H3,(H,22,23);5-11H,4,12H2,1-3H3;4-9,19H,3,10H2,1-2H3;4-9,19H,3,10H2,1-2H3;5-10H,4,11H2,1-3H3.

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

2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 4830.83 g/mol, XLogP of 42.26, 59 rotatable bonds, 2 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethoxy)-6-methoxy-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)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(3,4-dimethoxyphenyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-2-pyridinyl]-2-methylpropanenitrile;2-(5-ethoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(3-methoxyphenyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-2-(5-methoxy-3-pyridinyl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(1-ethylpyrazol-4-yl)-4-methyl-2-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-methyl-6-(1H-pyrazol-4-yl)-2-quinolin-3-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 161367567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).