C147H149F4N39O9 — CID 158663211
5-(4-cyclopropylimidazol-1-yl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yltriazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5-propan-2-yl-1,2,4-triazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-1-methyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158663211) has the molecular formula C147H149F4N39O9 and a molecular weight of 2682.06 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yltriazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5-propan-2-yl-1,2,4-triazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-1-methyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide.
| Compound Name | 5-(4-cyclopropylimidazol-1-yl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yltriazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5-propan-2-yl-1,2,4-triazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-1-methyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158663211 |
| Molecular Formula | C147H149F4N39O9 |
| Molecular Weight | 2682.06 g/mol |
| Exact Mass | 2680.23 |
| IUPAC Name | 5-(4-cyclopropylimidazol-1-yl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(3-propan-2-yl-1,2-oxazol-4-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yltriazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(5-propan-2-yl-1,2,4-triazol-1-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-1-methyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide |
| SMILES | CC(C)n1ccnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)cn(C)c2=O)n1.Cc1c(-n2cnc(C3CC3)c2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3ccnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3conc3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-n3cc(C(C)C)nn3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-n3ncnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1 |
| InChI | InChI=1S/C25H25FN6O.C25H24FN5O2.C25H27N7O2.2C24H24FN7O.C24H25N7O2/c1-15(2)32-22(9-10-28-32)20-5-4-6-24(29-20)30-25(33)18-12-23(16(3)11-19(18)26)31-13-21(27-14-31)17-7-8-17;1-14(2)24-18(12-33-30-24)20-5-4-6-23(28-20)29-25(32)17-10-22(15(3)9-19(17)26)31-11-21(27-13-31)16-7-8-16;1-15(2)32-11-10-26-23(32)19-6-5-7-22(28-19)29-24(33)18-12-21(16(3)30(4)25(18)34)31-13-20(27-14-31)17-8-9-17;1-14(2)19-12-32(30-29-19)23-6-4-5-22(27-23)28-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-13-31)16-7-8-16;1-14(2)23-26-12-28-32(23)22-6-4-5-21(29-22)30-24(33)17-10-20(15(3)9-18(17)25)31-11-19(27-13-31)16-7-8-16;1-15(2)31-10-9-25-22(31)19-5-4-6-21(27-19)28-23(32)18-11-17(12-29(3)24(18)33)30-13-20(26-14-30)16-7-8-16/h4-6,9-15,17H,7-8H2,1-3H3,(H,29,30,33);4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,32);5-7,10-15,17H,8-9H2,1-4H3,(H,28,29,33);4-6,9-14,16H,7-8H2,1-3H3,(H,27,28,33);4-6,9-14,16H,7-8H2,1-3H3,(H,29,30,33);4-6,9-16H,7-8H2,1-3H3,(H,27,28,32) |
| InChIKey | IDABNOSDICKSKA-UHFFFAOYSA-N |
| XLogP | 27.40 |
| TPSA | 543.77 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2682.06 |
| LogP ≤ 5 | 27.40 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 42 |