About 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 159653805) has the molecular formula C293H281F38N69O40
and a molecular weight of 6130.84 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
Frequently Asked Questions
What is the IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 159653805) is 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is CCOC1(C)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1cncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CCOc1cncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.CC[C@@]1(OC)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CC[C@]1(OC)c2nc(-c3cnc(OC)c(OC)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.COc1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(C[C@@H](C)O)c2)C3=O)cnc1OC.COc1cncc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(c2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)nc1OC.COc1ncc(-c2cc(C)c3c(c2)CN(c2cnn(CC(F)(F)F)c2)C3=O)nc1OC.COc1ncc(-c2cc(C)c3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1CO.COc1ncc(-c2ccc3c(n2)CN(c2cnn(CC(F)(F)F)c2)C3=O)cc1CO.Cc1cc(-c2cncc(CO)c2)nc2c1C(=O)N(c1ccn[nH]1)C2.Cc1cc(-c2cncc(CO)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.
What is the InChIKey of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MRXMWLZAUJFPPL-CZUWHBKESA-N. The full InChI is InChI=1S/3C23H24F3N5O4.C23H27N5O4.C22H21F3N4O2.C21H18F5N5O2.C21H20F3N5O3.2C21H20F3N5O2.2C20H18F3N5O3.C19H16F3N5O3.C19H16F3N5O2.C17H15N5O2/c2*1-6-22(35-5)19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-3)20(34-4)27-9-14;1-6-35-22(3)19-18(21(32)31(22)15-10-28-30(11-15)12-23(24,25)26)13(2)7-16(29-19)14-8-17(33-4)20(34-5)27-9-14;1-13-7-17(15-8-18(31-5)21(32-6)24-9-15)26-20-19(13)22(30)28(23(20,3)4)16-10-25-27(12-16)11-14(2)29;1-4-31-18-6-16(8-26-10-18)15-5-13(2)20-19(7-15)14(3)29(21(20)30)17-9-27-28(11-17)12-22(23,24)25;1-11-4-15(12-5-14(8-27-6-12)33-19(22)23)29-17-16(11)18(32)31(20(17,2)3)13-7-28-30(9-13)10-21(24,25)26;1-11-5-13(16-8-25-18(31-3)19(27-16)32-4)6-15-12(2)29(20(30)17(11)15)14-7-26-28(9-14)10-21(22,23)24;1-12-5-16(13-6-15(31-4)9-25-7-13)27-18-17(12)19(30)29(20(18,2)3)14-8-26-28(10-14)11-21(22,23)24;1-4-31-16-6-14(7-25-9-16)17-5-12(2)18-19(27-17)13(3)29(20(18)30)15-8-26-28(10-15)11-21(22,23)24;1-11-4-12(15-7-24-17(30-2)18(26-15)31-3)5-13-8-28(19(29)16(11)13)14-6-25-27(9-14)10-20(21,22)23;1-11-3-15(12-4-13(9-29)18(31-2)24-5-12)26-16-8-28(19(30)17(11)16)14-6-25-27(7-14)10-20(21,22)23;1-30-17-12(9-28)4-11(5-23-17)15-3-2-14-16(25-15)8-27(18(14)29)13-6-24-26(7-13)10-19(20,21)22;1-11-2-15(13-3-12(9-28)4-23-5-13)25-16-8-27(18(29)17(11)16)14-6-24-26(7-14)10-19(20,21)22;1-10-4-13(12-5-11(9-23)6-18-7-12)20-14-8-22(17(24)16(10)14)15-2-3-19-21-15/h3*7-11H,6,12H2,1-5H3;7-10,12,14,29H,11H2,1-6H3;5-11,14H,4,12H2,1-3H3;4-9,19H,10H2,1-3H3;5-9,12H,10H2,1-4H3;5-10H,11H2,1-4H3;5-10,13H,4,11H2,1-3H3;4-7,9H,8,10H2,1-3H3;3-7,29H,8-10H2,1-2H3;2-7,28H,8-10H2,1H3;2-7,28H,8-10H2,1H3;2-7,23H,8-9H2,1H3,(H,19,21)/t2*22-;;14-;;;;;;;;;;/m10.1........../s1.
What are the key properties of 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 6130.84 g/mol, XLogP of 50.79, 73 rotatable bonds, 6 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;5-(5,6-dimethoxypyrazin-2-yl)-3,7-dimethyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxypyrazin-2-yl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;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;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-6-methoxy-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-(1H-pyrazol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159653805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).