C90H74Cl8F12N36O8 — CID 157094518
N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (PubChem CID 157094518) has the molecular formula C90H74Cl8F12N36O8 and a molecular weight of 2299.43 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.
| Compound Name | N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide |
|---|---|
| PubChem CID | 157094518 |
| Molecular Formula | C90H74Cl8F12N36O8 |
| Molecular Weight | 2299.43 g/mol |
| Exact Mass | 2294.38 |
| IUPAC Name | N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide |
| SMILES | CCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)F)nn1-c1ncccc1Cl.CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)F)nn1-c1ncccc1Cl.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)F)nn1-c1ncccc1Cl.Cc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl |
| InChI | InChI=1S/C24H22Cl2F3N9O2.C23H18Cl2F3N9O2.C22H18Cl2F3N9O2.C21H16Cl2F3N9O2/c1-12-8-13(25)9-15(20(39)32-23(2,3)4)18(12)31-21(40)17-10-14(11-37-22(24(27,28)29)33-35-36-37)34-38(17)19-16(26)6-5-7-30-19;1-11-7-12(24)8-15(20(38)30-13-4-5-13)18(11)31-21(39)17-9-14(10-36-34-22(32-35-36)23(26,27)28)33-37(17)19-16(25)3-2-6-29-19;1-3-28-19(37)14-8-12(23)7-11(2)17(14)30-20(38)16-9-13(10-35-21(22(25,26)27)31-33-34-35)32-36(16)18-15(24)5-4-6-29-18;1-10-6-11(22)7-13(18(36)27-2)16(10)29-19(37)15-8-12(9-34-20(21(24,25)26)30-32-33-34)31-35(15)17-14(23)4-3-5-28-17/h5-10H,11H2,1-4H3,(H,31,40)(H,32,39);2-3,6-9,13H,4-5,10H2,1H3,(H,30,38)(H,31,39);4-9H,3,10H2,1-2H3,(H,28,37)(H,30,38);3-8H,9H2,1-2H3,(H,27,36)(H,29,37) |
| InChIKey | AFAZBDQYODZVLJ-UHFFFAOYSA-N |
| XLogP | 16.28 |
| TPSA | 530.04 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2299.43 |
| LogP ≤ 5 | 16.28 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 36 |