C107H96F21N31O9 — CID 157076449
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide (PubChem CID 157076449) has the molecular formula C107H96F21N31O9 and a molecular weight of 2359.11 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide.
| Compound Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 157076449 |
| Molecular Formula | C107H96F21N31O9 |
| Molecular Weight | 2359.11 g/mol |
| Exact Mass | 2357.77 |
| IUPAC Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-nitrobenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylpropanamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide |
| SMILES | COc1cccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCC2CCCC2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCc2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nc1N |
| InChI | InChI=1S/C19H18F3N5O.C18H13F6N5O.C18H16F3N5O2.C18H22F3N5O.C17H13F3N6O3.C17H14F3N5O/c1-27-14(11-15(26-27)19(20,21)22)13-8-9-16(25-18(13)23)24-17(28)10-7-12-5-3-2-4-6-12;1-29-12(8-13(28-29)18(22,23)24)10-6-7-14(26-15(10)25)27-16(30)9-4-2-3-5-11(9)17(19,20)21;1-26-13(9-14(25-26)18(19,20)21)12-6-7-15(23-16(12)22)24-17(27)10-4-3-5-11(8-10)28-2;1-26-13(10-14(25-26)18(19,20)21)12-7-8-15(24-17(12)22)23-16(27)9-6-11-4-2-3-5-11;1-25-12(8-13(24-25)17(18,19)20)9-6-7-14(22-15(9)21)23-16(27)10-4-2-3-5-11(10)26(28)29;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-6,8-9,11H,7,10H2,1H3,(H3,23,24,25,28);2-8H,1H3,(H3,25,26,27,30);3-9H,1-2H3,(H3,22,23,24,27);7-8,10-11H,2-6,9H2,1H3,(H3,22,23,24,27);2-8H,1H3,(H3,21,22,23,27);2-9H,1H3,(H3,21,22,23,26) |
| InChIKey | ADAIYTGUSUCQIB-UHFFFAOYSA-N |
| XLogP | 21.92 |
| TPSA | 567.35 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2359.11 |
| LogP ≤ 5 | 21.92 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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