2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide

C146H125Cl3F3N35O23 — CID 158933065

IUPAC2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide
SMILESCOc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)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(c2)CN(c2cnn([C@@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CC(N)=O)c2)C3=O)cnc1OC
InChIInChI=1S/C27H24N4O5.C21H19F3N4O3.C21H19N5O3.C20H16ClN5O3.C19H15ClN6O3.C19H14ClN5O2.C19H18N6O4/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;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;1-13(8-22)26-12-17(10-24-26)25-11-16-6-14(4-5-18(16)21(25)27)15-7-19(28-2)20(29-3)23-9-15;1-28-17-7-13(8-23-19(17)29-2)12-5-14-10-26(20(27)18(14)16(21)6-12)15-9-24-25(11-15)4-3-22;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/h3-12,14,21H,13,15-16H2,1-2H3;4-8,10H,9,11H2,1-3H3;4-7,9-10,12-13H,11H2,1-3H3;5-9,11H,4,10H2,1-2H3;5-9H,4,10H2,1-2H3;2-3,6-9,11H,5,10H2,1H3;3-8H,9-10H2,1-2H3,(H2,20,26)/t;;13-;;;;/m..0..../s1
InChIKeyJJHRRPHTCBESNS-CXMMDVAHSA-N
MW2901.18 g/mol
LogP21.45
Rot. Bonds36

About 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide

2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide (PubChem CID 158933065) has the molecular formula C146H125Cl3F3N35O23 and a molecular weight of 2901.18 g/mol. Its IUPAC name is 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide
PubChem CID158933065
Molecular FormulaC146H125Cl3F3N35O23
Molecular Weight2901.18 g/mol
Exact Mass2897.87
IUPAC Name2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide
SMILESCOc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)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(c2)CN(c2cnn([C@@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CC(N)=O)c2)C3=O)cnc1OC
InChIInChI=1S/C27H24N4O5.C21H19F3N4O3.C21H19N5O3.C20H16ClN5O3.C19H15ClN6O3.C19H14ClN5O2.C19H18N6O4/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;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;1-13(8-22)26-12-17(10-24-26)25-11-16-6-14(4-5-18(16)21(25)27)15-7-19(28-2)20(29-3)23-9-15;1-28-17-7-13(8-23-19(17)29-2)12-5-14-10-26(20(27)18(14)16(21)6-12)15-9-24-25(11-15)4-3-22;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/h3-12,14,21H,13,15-16H2,1-2H3;4-8,10H,9,11H2,1-3H3;4-7,9-10,12-13H,11H2,1-3H3;5-9,11H,4,10H2,1-2H3;5-9H,4,10H2,1-2H3;2-3,6-9,11H,5,10H2,1H3;3-8H,9-10H2,1-2H3,(H2,20,26)/t;;13-;;;;/m..0..../s1
InChIKeyJJHRRPHTCBESNS-CXMMDVAHSA-N
XLogP21.45
TPSA659.62 Ų
H-Bond Donors1
H-Bond Acceptors50
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002901.18
LogP ≤ 521.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

CID 157274304
CID 157274304
4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-ethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 157295252
[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 158182752
2-[4-[6-(5,6-diethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-diethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;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-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
CID 158576486
2-(5,6-dimethoxy-3-pyridinyl)-7-ethoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-ethyl-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-(5-ethoxy-3-pyridinyl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-(5-ethoxy-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 159696904
2-chloro-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-ethoxy-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 160499605
2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 161368749
[3-Chloro-4-(2-methoxyethoxy)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(6-methyl-5-propan-2-yloxy-2-pyridinyl)-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-phenylmethanone;[4-(oxolan-3-yloxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 161569957
(2-Chloro-4-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;2-[4-(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl)-2-methoxyphenoxy]acetamide;(4-methoxy-2-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;molecular hydrogen;[4-(2-propan-2-yloxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 161902450
(6R)-5-benzyl-2-[(3-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-benzyl-2-[(4-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chlorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157299118
(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159627612
(3-chloro-2-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone;[2-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone;[2-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methylpyrazin-2-yl)methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone;methane
CID 160877424

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide (CID 158933065) is 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide is COc1cc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)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(c2)CN(c2cnn([C@@H](C)C#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CC(N)=O)c2)C3=O)cnc1OC.
What is the InChIKey of 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide?
The InChIKey is JJHRRPHTCBESNS-CXMMDVAHSA-N. The full InChI is InChI=1S/C27H24N4O5.C21H19F3N4O3.C21H19N5O3.C20H16ClN5O3.C19H15ClN6O3.C19H14ClN5O2.C19H18N6O4/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;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;1-13(8-22)26-12-17(10-24-26)25-11-16-6-14(4-5-18(16)21(25)27)15-7-19(28-2)20(29-3)23-9-15;1-28-17-7-13(8-23-19(17)29-2)12-5-14-10-26(20(27)18(14)16(21)6-12)15-9-24-25(11-15)4-3-22;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/h3-12,14,21H,13,15-16H2,1-2H3;4-8,10H,9,11H2,1-3H3;4-7,9-10,12-13H,11H2,1-3H3;5-9,11H,4,10H2,1-2H3;5-9H,4,10H2,1-2H3;2-3,6-9,11H,5,10H2,1H3;3-8H,9-10H2,1-2H3,(H2,20,26)/t;;13-;;;;/m..0..../s1.
What are the key properties of 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide?
2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide has a molecular weight of 2901.18 g/mol, XLogP of 21.45, 36 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-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;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 158933065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).