C109H106Cl2F18N30O7S — CID 158641118
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chloro-4-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;methane (PubChem CID 158641118) has the molecular formula C109H106Cl2F18N30O7S and a molecular weight of 2393.19 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chloro-4-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;methane.
| Compound Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chloro-4-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;methane |
|---|---|
| PubChem CID | 158641118 |
| Molecular Formula | C109H106Cl2F18N30O7S |
| Molecular Weight | 2393.19 g/mol |
| Exact Mass | 2390.77 |
| IUPAC Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chloro-4-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;methane |
| SMILES | C.C.C.C.COc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c(Cl)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.Cc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1cccc(CC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cc1ncsc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(N)n1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1N |
| InChI | InChI=1S/C19H17F3N4O.C18H15ClF3N5O2.2C18H16F3N5O.C17H13ClF3N5O.C15H13F3N6OS.4CH4/c1-11-4-3-5-12(8-11)9-16(27)14-7-6-13(18(23)24-14)15-10-17(19(20,21)22)25-26(15)2;1-27-13(8-14(26-27)18(20,21)22)11-5-6-15(24-16(11)23)25-17(28)10-4-3-9(29-2)7-12(10)19;1-10-3-5-11(6-4-10)17(27)24-15-8-7-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-10-4-3-5-11(8-10)17(27)24-15-7-6-12(16(22)23-15)13-9-14(18(19,20)21)25-26(13)2;1-26-12(8-13(25-26)17(19,20)21)10-6-7-14(23-15(10)22)24-16(27)9-4-2-3-5-11(9)18;1-7-12(26-6-20-7)14(25)22-11-4-3-8(13(19)21-11)9-5-10(15(16,17)18)23-24(9)2;;;;/h3-8,10H,9H2,1-2H3,(H2,23,24);3-8H,1-2H3,(H3,23,24,25,28);2*3-9H,1-2H3,(H3,22,23,24,27);2-8H,1H3,(H3,22,23,24,27);3-6H,1-2H3,(H3,19,21,22,25);4*1H4 |
| InChIKey | IAJZCDAIEYSWHW-UHFFFAOYSA-N |
| XLogP | 24.74 |
| TPSA | 525.07 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2393.19 |
| LogP ≤ 5 | 24.74 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 33 |