About 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158944359) has the molecular formula C135H133F16N31O21
and a molecular weight of 2829.71 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
Frequently Asked Questions
What is the IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 158944359) is 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCC1c2nc(-c3cncc(OC(F)F)c3)cc(C)c2C(=O)N1c1cnn(CC(F)(F)F)c1.CCOc1ncc(-c2cc(C)c3c(n2)C(CC)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1OC.COc1cc(-c2cc(C)c3c(n2)C(O)(OC)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C2(CCCO2)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.COc1cc(-c2cc(C)c3c(n2)C2(CCOCC2)N(c2cnn(C(C)(C)C#N)c2)C3=O)cnc1OC.Cc1cc(-c2cncc(OC(F)F)c2)nc2c1C(=O)N(c1cnn(C[C@H](C)O)c1)C2C.
What is the InChIKey of 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JKQFVDFCHUCMPL-LSJIPZMKSA-N. The full InChI is InChI=1S/C26H28N6O4.C23H22F3N5O4.C23H24F3N5O3.C21H18F5N5O2.C21H20F3N5O5.C21H21F2N5O3/c1-16-10-19(17-11-20(34-4)23(35-5)28-12-17)30-22-21(16)24(33)32(26(22)6-8-36-9-7-26)18-13-29-31(14-18)25(2,3)15-27;1-13-7-16(14-8-17(33-2)20(34-3)27-9-14)29-19-18(13)21(32)31(22(19)5-4-6-35-22)15-10-28-30(11-15)12-23(24,25)26;1-5-17-20-19(22(32)31(17)15-10-28-30(11-15)12-23(24,25)26)13(3)7-16(29-20)14-8-18(33-4)21(27-9-14)34-6-2;1-3-16-18-17(19(32)31(16)13-7-28-30(9-13)10-21(24,25)26)11(2)4-15(29-18)12-5-14(8-27-6-12)33-20(22)23;1-11-5-14(12-6-15(32-2)18(33-3)25-7-12)27-17-16(11)19(30)29(21(17,31)34-4)13-8-26-28(9-13)10-20(22,23)24;1-11-4-17(14-5-16(8-24-6-14)31-21(22)23)26-19-13(3)28(20(30)18(11)19)15-7-25-27(10-15)9-12(2)29/h10-14H,6-9H2,1-5H3;7-11H,4-6,12H2,1-3H3;7-11,17H,5-6,12H2,1-4H3;4-9,16,20H,3,10H2,1-2H3;5-9,31H,10H2,1-4H3;4-8,10,12-13,21,29H,9H2,1-3H3/t;;;;;12-,13?/m.....0/s1.
What are the key properties of 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2829.71 g/mol, XLogP of 23.08, 35 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-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)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158944359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).