C130H111F24N29O10 — CID 159230307
6-amino-N-(4-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone (PubChem CID 159230307) has the molecular formula C130H111F24N29O10 and a molecular weight of 2695.46 g/mol. Its IUPAC name is 6-amino-N-(4-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone.
| Compound Name | 6-amino-N-(4-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone |
|---|---|
| PubChem CID | 159230307 |
| Molecular Formula | C130H111F24N29O10 |
| Molecular Weight | 2695.46 g/mol |
| Exact Mass | 2693.87 |
| IUPAC Name | 6-amino-N-(4-methylphenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2,6-difluorophenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-fluoro-5-methylphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-hydroxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(2-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methoxyphenyl)ethanone;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(4-methylphenyl)ethanone |
| SMILES | COc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.COc1ccccc1CC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.Cc1ccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cc1ccc(F)c(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1ccc(NC(=O)c2nc(N)ccc2-c2cc(C(F)(F)F)nn2C)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2c(F)cccc2F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Cc2ccccc2O)nc1N |
| InChI | InChI=1S/C19H16F4N4O.2C19H17F3N4O2.C19H17F3N4O.C18H13F5N4O.C18H16F3N5O.C18H15F3N4O2/c1-10-3-5-13(20)11(7-10)8-16(28)14-6-4-12(18(24)25-14)15-9-17(19(21,22)23)26-27(15)2;1-26-15(10-17(25-26)19(20,21)22)13-6-7-14(24-18(13)23)16(27)9-11-4-3-5-12(8-11)28-2;1-26-14(10-17(25-26)19(20,21)22)12-7-8-13(24-18(12)23)15(27)9-11-5-3-4-6-16(11)28-2;1-11-3-5-12(6-4-11)9-16(27)14-8-7-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2;1-27-14(8-16(26-27)18(21,22)23)9-5-6-13(25-17(9)24)15(28)7-10-11(19)3-2-4-12(10)20;1-10-3-5-11(6-4-10)23-17(27)16-12(7-8-15(22)24-16)13-9-14(18(19,20)21)25-26(13)2;1-25-13(9-16(24-25)18(19,20)21)11-6-7-12(23-17(11)22)15(27)8-10-4-2-3-5-14(10)26/h3-7,9H,8H2,1-2H3,(H2,24,25);2*3-8,10H,9H2,1-2H3,(H2,23,24);3-8,10H,9H2,1-2H3,(H2,23,24);2-6,8H,7H2,1H3,(H2,24,25);3-9H,1-2H3,(H2,22,24)(H,23,27);2-7,9,26H,8H2,1H3,(H2,22,23) |
| InChIKey | KSUVEMKTLUOXDS-UHFFFAOYSA-N |
| XLogP | 25.45 |
| TPSA | 567.32 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2695.46 |
| LogP ≤ 5 | 25.45 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 38 |