2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
C137H139F18N33O15S2 — CID 158926627
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)F)c2)C3=O)cnc1OC.CCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)C.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)C(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C
InChIInChI=1S/C24H25F3N6O3.C24H26F2N6O3.C23H23F4N5O2.C23H24F3N5O3S.C22H21F3N6O2.C21H20F3N5O2S/c1-12(2)30-21(34)17-7-15(8-28-22(17)36-5)18-6-13(3)19-20(31-18)14(4)33(23(19)35)16-9-29-32(10-16)11-24(25,26)27;1-6-27-21(33)16-8-14(9-28-22(16)35-5)17-7-13(2)19-20(30-17)24(3,4)32(23(19)34)15-10-29-31(11-15)12-18(25)26;1-12-5-16(14-6-17(13(2)28-7-14)34-11-19(26)27)30-21-20(12)22(33)32(23(21,3)4)15-8-29-31(9-15)10-18(24)25;1-13(2)35(33,34)17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-4-27-20(32)15-6-14(7-26-8-15)17-5-12(2)18-19(29-17)13(3)31(21(18)33)16-9-28-30(10-16)11-22(23,24)25;1-12-5-16(13-6-15(32(4)31)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/h6-10,12,14H,11H2,1-5H3,(H,30,34);7-11,18H,6,12H2,1-5H3,(H,27,33);5-9,18-19H,10-11H2,1-4H3;6-11,13H,12H2,1-5H3;5-10,13H,4,11H2,1-3H3,(H,27,32);5-10H,11H2,1-4H3
InChIKeyJINJKDORBRPBQR-UHFFFAOYSA-N
MW2893.93 g/mol
LogP24.22
Rot. Bonds34
About 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158926627) has the molecular formula C137H139F18N33O15S2 and a molecular weight of 2893.93 g/mol. Its IUPAC name is 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
Molecular Properties
| Compound Name | 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one |
|---|---|
| PubChem CID | 158926627 |
| Molecular Formula | C137H139F18N33O15S2 |
| Molecular Weight | 2893.93 g/mol |
| Exact Mass | 2892.03 |
| IUPAC Name | 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one |
| SMILES | CCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)F)c2)C3=O)cnc1OC.CCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)C.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)C(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C |
| InChI | InChI=1S/C24H25F3N6O3.C24H26F2N6O3.C23H23F4N5O2.C23H24F3N5O3S.C22H21F3N6O2.C21H20F3N5O2S/c1-12(2)30-21(34)17-7-15(8-28-22(17)36-5)18-6-13(3)19-20(31-18)14(4)33(23(19)35)16-9-29-32(10-16)11-24(25,26)27;1-6-27-21(33)16-8-14(9-28-22(16)35-5)17-7-13(2)19-20(30-17)24(3,4)32(23(19)34)15-10-29-31(11-15)12-18(25)26;1-12-5-16(14-6-17(13(2)28-7-14)34-11-19(26)27)30-21-20(12)22(33)32(23(21,3)4)15-8-29-31(9-15)10-18(24)25;1-13(2)35(33,34)17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-4-27-20(32)15-6-14(7-26-8-15)17-5-12(2)18-19(29-17)13(3)31(21(18)33)16-9-28-30(10-16)11-22(23,24)25;1-12-5-16(13-6-15(32(4)31)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/h6-10,12,14H,11H2,1-5H3,(H,30,34);7-11,18H,6,12H2,1-5H3,(H,27,33);5-9,18-19H,10-11H2,1-4H3;6-11,13H,12H2,1-5H3;5-10,13H,4,11H2,1-3H3,(H,27,32);5-10H,11H2,1-4H3 |
| InChIKey | JINJKDORBRPBQR-UHFFFAOYSA-N |
| XLogP | 24.22 |
| TPSA | 549.66 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 205 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2893.93 |
| LogP ≤ 5 | 24.22 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 39 |
Frequently Asked Questions
What is the IUPAC name of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one (CID 158926627) is 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is CCNC(=O)c1cc(-c2cc(C)c3c(n2)C(C)(C)N(c2cnn(CC(F)F)c2)C3=O)cnc1OC.CCNC(=O)c1cncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)c1.COc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(F)(F)F)c2)C3=O)cc1C(=O)NC(C)C.Cc1cc(-c2cnc(C)c(OCC(F)F)c2)nc2c1C(=O)N(c1cnn(CC(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(=O)(=O)C(C)C)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.Cc1cc(-c2cncc(S(C)=O)c2)nc2c1C(=O)N(c1cnn(CC(F)(F)F)c1)C2(C)C.
What is the InChIKey of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JINJKDORBRPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3.C24H26F2N6O3.C23H23F4N5O2.C23H24F3N5O3S.C22H21F3N6O2.C21H20F3N5O2S/c1-12(2)30-21(34)17-7-15(8-28-22(17)36-5)18-6-13(3)19-20(31-18)14(4)33(23(19)35)16-9-29-32(10-16)11-24(25,26)27;1-6-27-21(33)16-8-14(9-28-22(16)35-5)17-7-13(2)19-20(30-17)24(3,4)32(23(19)34)15-10-29-31(11-15)12-18(25)26;1-12-5-16(14-6-17(13(2)28-7-14)34-11-19(26)27)30-21-20(12)22(33)32(23(21,3)4)15-8-29-31(9-15)10-18(24)25;1-13(2)35(33,34)17-7-15(8-27-10-17)18-6-14(3)19-20(29-18)22(4,5)31(21(19)32)16-9-28-30(11-16)12-23(24,25)26;1-4-27-20(32)15-6-14(7-26-8-15)17-5-12(2)18-19(29-17)13(3)31(21(18)33)16-9-28-30(10-16)11-22(23,24)25;1-12-5-16(13-6-15(32(4)31)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/h6-10,12,14H,11H2,1-5H3,(H,30,34);7-11,18H,6,12H2,1-5H3,(H,27,33);5-9,18-19H,10-11H2,1-4H3;6-11,13H,12H2,1-5H3;5-10,13H,4,11H2,1-3H3,(H,27,32);5-10H,11H2,1-4H3.
What are the key properties of 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one?
2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2893.93 g/mol, XLogP of 24.22, 34 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158926627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158926627 — identifiers, structure, computed properties (public domain)
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