C130H116Cl2F15N31O9S — CID 161147742
N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 161147742) has the molecular formula C130H116Cl2F15N31O9S and a molecular weight of 2644.51 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.
| Compound Name | N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide |
|---|---|
| PubChem CID | 161147742 |
| Molecular Formula | C130H116Cl2F15N31O9S |
| Molecular Weight | 2644.51 g/mol |
| Exact Mass | 2641.84 |
| IUPAC Name | N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1,3,5-trimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide |
| SMILES | CNc1nc(NC(=O)c2ccc(C)cc2)ccc1-c1cc(C(F)(F)F)nn1C.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)nn(C)c3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(NC=O)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2cnc(-c3cc(C(F)(F)F)nn3C)c(N)c2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1N |
| InChI | InChI=1S/C20H16F3N3O2.C19H16F3N5O2.C19H18F3N5O.C19H21N5O.C18H16ClN3OS.C18H16F3N5O.C17H13ClF3N5O/c1-12-6-8-13(9-7-12)19(27)26-17-11-10-15(18(24)25-17)14-4-2-3-5-16(14)28-20(21,22)23;1-11-3-5-12(6-4-11)18(29)25-16-8-7-13(17(24-16)23-10-28)14-9-15(19(20,21)22)26-27(14)2;1-11-4-6-12(7-5-11)18(28)25-16-9-8-13(17(23-2)24-16)14-10-15(19(20,21)22)26-27(14)3;1-11-5-7-14(8-6-11)19(25)22-16-10-9-15(18(20)21-16)17-12(2)23-24(4)13(17)3;1-10-3-5-12(6-4-10)18(23)22-14-8-7-13(17(20)21-14)15-11(2)9-24-16(15)19;1-10-3-5-11(6-4-10)17(27)24-12-7-13(22)16(23-9-12)14-8-15(18(19,20)21)25-26(14)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/h2-11H,1H3,(H3,24,25,26,27);3-10H,1-2H3,(H2,23,24,25,28,29);4-10H,1-3H3,(H2,23,24,25,28);5-10H,1-4H3,(H3,20,21,22,25);3-9H,1-2H3,(H3,20,21,22,23);3-9H,22H2,1-2H3,(H,24,27);2-8H,1H3,(H3,22,23,24,27) |
| InChIKey | UOGVRFIMIBANOI-UHFFFAOYSA-N |
| XLogP | 28.31 |
| TPSA | 563.49 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2644.51 |
| LogP ≤ 5 | 28.31 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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