C136H125ClF19N29O7 — CID 157104187
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-cyclohexylacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;(E)-N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylprop-2-enamide;2-chloro-N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 157104187) has the molecular formula C136H125ClF19N29O7 and a molecular weight of 2674.11 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-cyclohexylacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;(E)-N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylprop-2-enamide;2-chloro-N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-cyclohexylacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;(E)-N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylprop-2-enamide;2-chloro-N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 157104187 |
| Molecular Formula | C136H125ClF19N29O7 |
| Molecular Weight | 2674.11 g/mol |
| Exact Mass | 2671.97 |
| IUPAC Name | N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-cyclohexylacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-cyclopentylpropanamide;(E)-N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-phenylprop-2-enamide;2-chloro-N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-3-methylbenzamide;N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]-4-methylbenzamide |
| SMILES | CCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(C)c2)nc1F.CCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1F.Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4n3C)c(F)n2)cc1.Cc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4n3C)c(F)n2)c1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)/C=C/c2ccccc2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CC2CCCCC2)nc1N.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCC2CCCC2)nc1N |
| InChI | InChI=1S/2C22H18FN3O.C19H16F4N4O.C19H16F3N5O.C18H13ClF4N4O.2C18H22F3N5O/c1-14-6-5-8-16(12-14)22(27)25-20-11-10-17(21(23)24-20)19-13-15-7-3-4-9-18(15)26(19)2;1-14-7-9-15(10-8-14)22(27)25-20-12-11-17(21(23)24-20)19-13-16-5-3-4-6-18(16)26(19)2;1-3-27-14(10-15(26-27)19(21,22)23)13-7-8-16(24-17(13)20)25-18(28)12-6-4-5-11(2)9-12;1-27-14(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;1-2-27-13(9-14(26-27)18(21,22)23)11-7-8-15(24-16(11)20)25-17(28)10-5-3-4-6-12(10)19;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;1-26-13(10-14(25-26)18(19,20)21)12-7-8-15(24-17(12)22)23-16(27)9-11-5-3-2-4-6-11/h2*3-13H,1-2H3,(H,24,25,27);4-10H,3H2,1-2H3,(H,24,25,28);2-11H,1H3,(H3,23,24,25,28);3-9H,2H2,1H3,(H,24,25,28);2*7-8,10-11H,2-6,9H2,1H3,(H3,22,23,24,27)/b;;;10-7+;;; |
| InChIKey | AGCPTQLOJJWOHW-OICSHRNTSA-N |
| XLogP | 31.31 |
| TPSA | 470.95 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2674.11 |
| LogP ≤ 5 | 31.31 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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