2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile

C290H255Cl2F9N66O42 — CID 157274304

About 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile

2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile (PubChem CID 157274304) has the molecular formula C290H255Cl2F9N66O42 and a molecular weight of 5578.54 g/mol. Its IUPAC name is 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile.

Molecular Properties

• Compound Name: 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile
• PubChem CID: 157274304
• Molecular Formula: C290H255Cl2F9N66O42
• Molecular Weight: 5578.54 g/mol
• Exact Mass: 5573.91
• IUPAC Name: 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile
• SMILES: CCn1cc(N2Cc3cc(-c4ccc(OC)c(OC)n4)ccc3C2=O)cn1.CCn1cc(N2Cc3cc(-c4cnc(OC)nc4OC)ccc3C2=O)cn1.CCn1cc(N2Cc3cc(-c4cnc5ccccc5c4)ccc3C2=O)cn1.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn([C@@H](CO)C(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn([C@H](CO)C(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(n2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1Cl.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC4COc5ccccc5O4)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cn[nH]c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CC(N)=O)c2)C3=O)cnc1OC.COc1ccc(-c2cc(C)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cc1OC.COc1ncc(-c2ccc3c(c2)CN(c2cnn(CC#N)c2)C3=O)c(OC)n1.N#CCn1cc(N2Cc3cc(-c4cnc5ccccc5c4)ccc3C2=O)cn1
• InChI: InChI=1S/C27H24N4O5.2C22H21F3N4O4.C22H15N5O.C22H20N4O3.C22H18N4O.C21H19F3N4O3.C20H20N4O3.C19H15ClN6O3.C19H14ClN5O2.C19H18N6O4.C19H16N6O3.C19H19N5O3.C17H15N5O3/c1-33-25-10-18(11-28-26(25)34-2)17-7-8-22-19(9-17)13-31(27(22)32)20-12-29-30(14-20)15-21-16-35-23-5-3-4-6-24(23)36-21;2*1-12-4-13(14-6-17(32-2)20(33-3)26-7-14)5-15-9-28(21(31)19(12)15)16-8-27-29(10-16)18(11-30)22(23,24)25;23-7-8-26-14-19(12-25-26)27-13-18-9-15(5-6-20(18)22(27)28)17-10-16-3-1-2-4-21(16)24-11-17;1-14-8-16(15-4-5-19(28-2)20(10-15)29-3)9-17-12-26(22(27)21(14)17)18-11-24-25(13-18)7-6-23;1-2-25-14-19(12-24-25)26-13-18-9-15(7-8-20(18)22(26)27)17-10-16-5-3-4-6-21(16)23-11-17;1-12-4-13(14-6-17(30-2)19(31-3)25-7-14)5-15-9-28(20(29)18(12)15)16-8-26-27(10-16)11-21(22,23)24;1-4-23-12-15(10-21-23)24-11-14-9-13(5-6-16(14)20(24)25)17-7-8-18(26-2)19(22-17)27-3;1-28-16-5-11(7-22-18(16)29-2)14-6-13(20)17-15(24-14)10-26(19(17)27)12-8-23-25(9-12)4-3-21;1-27-17-7-13(8-22-18(17)20)12-2-3-16-14(6-12)10-25(19(16)26)15-9-23-24(11-15)5-4-21;1-28-16-5-11(6-21-18(16)29-2)14-4-3-13-15(23-14)9-25(19(13)27)12-7-22-24(8-12)10-17(20)26;1-27-17-16(9-21-19(23-17)28-2)12-3-4-15-13(7-12)10-25(18(15)26)14-8-22-24(11-14)6-5-20;1-4-23-11-14(8-21-23)24-10-13-7-12(5-6-15(13)18(24)25)16-9-20-19(27-3)22-17(16)26-2;1-24-15-5-10(6-18-16(15)25-2)13-4-3-12-14(21-13)9-22(17(12)23)11-7-19-20-8-11/h3-12,14,21H,13,15-16H2,1-2H3;2*4-8,10,18,30H,9,11H2,1-3H3;1-6,9-12,14H,8,13H2;4-5,8-11,13H,7,12H2,1-3H3;3-12,14H,2,13H2,1H3;4-8,10H,9,11H2,1-3H3;5-10,12H,4,11H2,1-3H3;5-9H,4,10H2,1-2H3;2-3,6-9,11H,5,10H2,1H3;3-8H,9-10H2,1-2H3,(H2,20,26);3-4,7-9,11H,6,10H2,1-2H3;5-9,11H,4,10H2,1-3H3;3-8H,9H2,1-2H3,(H,19,20)/t;2*18-;;;;;;;;;;;/m.10.........../s1
• InChIKey: AYXGWLMIJFTLPA-OLFNRPFFSA-N
• XLogP: 43.38
• TPSA: 1209.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 92
• Rotatable Bonds: 68
• Heavy Atoms: 409
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5578.54
LogP ≤ 5	43.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	92

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile?

The IUPAC name of 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile (CID 157274304) is 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile.

What is the SMILES notation for 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile?

The canonical SMILES for 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile is CCn1cc(N2Cc3cc(-c4ccc(OC)c(OC)n4)ccc3C2=O)cn1.CCn1cc(N2Cc3cc(-c4cnc(OC)nc4OC)ccc3C2=O)cn1.CCn1cc(N2Cc3cc(-c4cnc5ccccc5c4)ccc3C2=O)cn1.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn([C@@H](CO)C(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(c2)CN(c2cnn([C@H](CO)C(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(n2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1Cl.COc1cc(-c2ccc3c(c2)CN(c2cnn(CC4COc5ccccc5O4)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cn[nH]c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CC(N)=O)c2)C3=O)cnc1OC.COc1ccc(-c2cc(C)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cc1OC.COc1ncc(-c2ccc3c(c2)CN(c2cnn(CC#N)c2)C3=O)c(OC)n1.N#CCn1cc(N2Cc3cc(-c4cnc5ccccc5c4)ccc3C2=O)cn1.

What is the InChIKey of 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile?

The InChIKey is AYXGWLMIJFTLPA-OLFNRPFFSA-N. The full InChI is InChI=1S/C27H24N4O5.2C22H21F3N4O4.C22H15N5O.C22H20N4O3.C22H18N4O.C21H19F3N4O3.C20H20N4O3.C19H15ClN6O3.C19H14ClN5O2.C19H18N6O4.C19H16N6O3.C19H19N5O3.C17H15N5O3/c1-33-25-10-18(11-28-26(25)34-2)17-7-8-22-19(9-17)13-31(27(22)32)20-12-29-30(14-20)15-21-16-35-23-5-3-4-6-24(23)36-21;2*1-12-4-13(14-6-17(32-2)20(33-3)26-7-14)5-15-9-28(21(31)19(12)15)16-8-27-29(10-16)18(11-30)22(23,24)25;23-7-8-26-14-19(12-25-26)27-13-18-9-15(5-6-20(18)22(27)28)17-10-16-3-1-2-4-21(16)24-11-17;1-14-8-16(15-4-5-19(28-2)20(10-15)29-3)9-17-12-26(22(27)21(14)17)18-11-24-25(13-18)7-6-23;1-2-25-14-19(12-24-25)26-13-18-9-15(7-8-20(18)22(26)27)17-10-16-5-3-4-6-21(16)23-11-17;1-12-4-13(14-6-17(30-2)19(31-3)25-7-14)5-15-9-28(20(29)18(12)15)16-8-26-27(10-16)11-21(22,23)24;1-4-23-12-15(10-21-23)24-11-14-9-13(5-6-16(14)20(24)25)17-7-8-18(26-2)19(22-17)27-3;1-28-16-5-11(7-22-18(16)29-2)14-6-13(20)17-15(24-14)10-26(19(17)27)12-8-23-25(9-12)4-3-21;1-27-17-7-13(8-22-18(17)20)12-2-3-16-14(6-12)10-25(19(16)26)15-9-23-24(11-15)5-4-21;1-28-16-5-11(6-21-18(16)29-2)14-4-3-13-15(23-14)9-25(19(13)27)12-7-22-24(8-12)10-17(20)26;1-27-17-16(9-21-19(23-17)28-2)12-3-4-15-13(7-12)10-25(18(15)26)14-8-22-24(11-14)6-5-20;1-4-23-11-14(8-21-23)24-10-13-7-12(5-6-15(13)18(24)25)16-9-20-19(27-3)22-17(16)26-2;1-24-15-5-10(6-18-16(15)25-2)13-4-3-12-14(21-13)9-22(17(12)23)11-7-19-20-8-11/h3-12,14,21H,13,15-16H2,1-2H3;2*4-8,10,18,30H,9,11H2,1-3H3;1-6,9-12,14H,8,13H2;4-5,8-11,13H,7,12H2,1-3H3;3-12,14H,2,13H2,1H3;4-8,10H,9,11H2,1-3H3;5-10,12H,4,11H2,1-3H3;5-9H,4,10H2,1-2H3;2-3,6-9,11H,5,10H2,1H3;3-8H,9-10H2,1-2H3,(H2,20,26);3-4,7-9,11H,6,10H2,1-2H3;5-9,11H,4,10H2,1-3H3;3-8H,9H2,1-2H3,(H,19,20)/t;2*18-;;;;;;;;;;;/m.10.........../s1.

What are the key properties of 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile?

2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile has a molecular weight of 5578.54 g/mol, XLogP of 43.38, 68 rotatable bonds, 4 hydrogen bond donors, and 92 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;2-[4-[6-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(2,4-dimethoxypyrimidin-5-yl)-2-(1-ethylpyrazol-4-yl)-3H-isoindol-1-one;2-[4-[6-(2,4-dimethoxypyrimidin-5-yl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-(1-ethylpyrazol-4-yl)-5-quinolin-3-yl-3H-isoindol-1-one;2-[4-(3-oxo-6-quinolin-3-yl-1H-isoindol-2-yl)pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 157274304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).