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

C121H107Cl2F3N30O18 — CID 161368749

IUPAC2-[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
SMILESCOc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cc(C4CC4)[nH]n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cncc(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(C)C)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CCC#N)c2)C3=O)cnc1OC
InChIInChI=1S/C21H17N5O3.C21H20N4O3.C20H16ClN5O3.C20H18N6O3.C20H21N5O3.C19H15ClF3N5O3/c1-28-19-8-14(10-24-20(19)29-2)17-4-3-16-18(25-17)12-26(21(16)27)15-7-13(5-6-22)9-23-11-15;1-27-18-8-14(10-22-20(18)28-2)13-5-6-16-15(7-13)11-25(21(16)26)19-9-17(23-24-19)12-3-4-12;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;1-28-18-8-13(9-22-19(18)29-2)16-5-4-15-17(24-16)12-26(20(15)27)14-10-23-25(11-14)7-3-6-21;1-12(2)25-10-14(9-22-25)24-11-17-15(20(24)26)5-6-16(23-17)13-7-18(27-3)19(28-4)21-8-13;1-30-15-3-10(5-24-17(15)31-2)13-4-12(20)16-14(26-13)8-28(18(16)29)11-6-25-27(7-11)9-19(21,22)23/h3-4,7-11H,5,12H2,1-2H3;5-10,12H,3-4,11H2,1-2H3,(H,23,24);5-9,11H,4,10H2,1-2H3;4-5,8-11H,3,7,12H2,1-2H3;5-10,12H,11H2,1-4H3;3-7H,8-9H2,1-2H3
InChIKeyVQEJALVJUZJSMQ-UHFFFAOYSA-N
MW2397.28 g/mol
LogP18.87
Rot. Bonds31

About 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

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 (PubChem CID 161368749) has the molecular formula C121H107Cl2F3N30O18 and a molecular weight of 2397.28 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;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.

Molecular Properties

Compound Name2-[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
PubChem CID161368749
Molecular FormulaC121H107Cl2F3N30O18
Molecular Weight2397.28 g/mol
Exact Mass2394.77
IUPAC Name2-[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
SMILESCOc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cc(C4CC4)[nH]n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cncc(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(C)C)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CCC#N)c2)C3=O)cnc1OC
InChIInChI=1S/C21H17N5O3.C21H20N4O3.C20H16ClN5O3.C20H18N6O3.C20H21N5O3.C19H15ClF3N5O3/c1-28-19-8-14(10-24-20(19)29-2)17-4-3-16-18(25-17)12-26(21(16)27)15-7-13(5-6-22)9-23-11-15;1-27-18-8-14(10-22-20(18)28-2)13-5-6-16-15(7-13)11-25(21(16)26)19-9-17(23-24-19)12-3-4-12;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;1-28-18-8-13(9-22-19(18)29-2)16-5-4-15-17(24-16)12-26(20(15)27)14-10-23-25(11-14)7-3-6-21;1-12(2)25-10-14(9-22-25)24-11-17-15(20(24)26)5-6-16(23-17)13-7-18(27-3)19(28-4)21-8-13;1-30-15-3-10(5-24-17(15)31-2)13-4-12(20)16-14(26-13)8-28(18(16)29)11-6-25-27(7-11)9-19(21,22)23/h3-4,7-11H,5,12H2,1-2H3;5-10,12H,3-4,11H2,1-2H3,(H,23,24);5-9,11H,4,10H2,1-2H3;4-5,8-11H,3,7,12H2,1-2H3;5-10,12H,11H2,1-4H3;3-7H,8-9H2,1-2H3
InChIKeyVQEJALVJUZJSMQ-UHFFFAOYSA-N
XLogP18.87
TPSA545.74 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002397.28
LogP ≤ 518.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

CID 157502706
CID 157502706
CID 157662445
CID 157662445
CID 157683286
CID 157683286
CID 157834648
CID 157834648
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-5-methylpyrazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(1-ethyl-1,2,4-triazol-3-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(2-ethyltriazol-4-yl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3H-isoindol-1-one;(2R)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;5-(5,6-dimethoxy-3-pyridinyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
CID 158808419
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
CID 159653805
CID 159653805
CID 160575591
CID 160575591
CID 160592886
CID 160592886
CID 160732634
CID 160732634
CID 161410619
CID 161410619
CID 161708367
CID 161708367

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;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?
The IUPAC name of 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) is 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.
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;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?
The canonical SMILES for 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 is COc1cc(-c2cc(Cl)c3c(c2)CN(c2cnn(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2cc(Cl)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(c2)CN(c2cc(C4CC4)[nH]n2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cncc(CC#N)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(C(C)C)c2)C3=O)cnc1OC.COc1cc(-c2ccc3c(n2)CN(c2cnn(CCC#N)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;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?
The InChIKey is VQEJALVJUZJSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3.C21H20N4O3.C20H16ClN5O3.C20H18N6O3.C20H21N5O3.C19H15ClF3N5O3/c1-28-19-8-14(10-24-20(19)29-2)17-4-3-16-18(25-17)12-26(21(16)27)15-7-13(5-6-22)9-23-11-15;1-27-18-8-14(10-22-20(18)28-2)13-5-6-16-15(7-13)11-25(21(16)26)19-9-17(23-24-19)12-3-4-12;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;1-28-18-8-13(9-22-19(18)29-2)16-5-4-15-17(24-16)12-26(20(15)27)14-10-23-25(11-14)7-3-6-21;1-12(2)25-10-14(9-22-25)24-11-17-15(20(24)26)5-6-16(23-17)13-7-18(27-3)19(28-4)21-8-13;1-30-15-3-10(5-24-17(15)31-2)13-4-12(20)16-14(26-13)8-28(18(16)29)11-6-25-27(7-11)9-19(21,22)23/h3-4,7-11H,5,12H2,1-2H3;5-10,12H,3-4,11H2,1-2H3,(H,23,24);5-9,11H,4,10H2,1-2H3;4-5,8-11H,3,7,12H2,1-2H3;5-10,12H,11H2,1-4H3;3-7H,8-9H2,1-2H3.
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;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?
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 has a molecular weight of 2397.28 g/mol, XLogP of 18.87, 31 rotatable bonds, 1 hydrogen bond donors, and 41 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;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 is sourced from PubChem (CID 161368749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).