C141H134Cl6F7N35O12 — CID 157164605
N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(1-cyanocyclopropyl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157164605) has the molecular formula C141H134Cl6F7N35O12 and a molecular weight of 2856.56 g/mol. Its IUPAC name is N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(1-cyanocyclopropyl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(1-cyanocyclopropyl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 157164605 |
| Molecular Formula | C141H134Cl6F7N35O12 |
| Molecular Weight | 2856.56 g/mol |
| Exact Mass | 2851.90 |
| IUPAC Name | N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(1-cyanocyclopropyl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-(6-chloro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cnc(Cl)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C25H23ClN6O2.C25H25ClN6O2.C24H25ClFN5O2.C24H24ClN7O2.C22H19ClF3N5O2.C21H18ClF3N6O2/c1-16-20(18-10-21(23(26)30-13-18)32-6-8-34-9-7-32)12-19(14-29-16)31-24(33)17-2-5-28-22(11-17)25(15-27)3-4-25;1-16-20(18-10-21(23(26)30-13-18)32-6-8-34-9-7-32)12-19(14-29-16)31-24(33)17-4-5-28-22(11-17)25(2,3)15-27;1-15-19(17-10-20(22(25)29-13-17)31-6-8-33-9-7-31)12-18(14-28-15)30-23(32)16-4-5-27-21(11-16)24(2,3)26;1-15-19(16-8-20(22(25)28-11-16)32-4-6-34-7-5-32)10-18(13-27-15)30-23(33)17-9-21(31-29-12-17)24(2,3)14-26;1-13-17(15-8-18(20(23)29-11-15)31-4-6-33-7-5-31)10-16(12-28-13)30-21(32)14-2-3-27-19(9-14)22(24,25)26;1-12-16(13-6-17(19(22)27-9-13)31-2-4-33-5-3-31)8-15(11-26-12)29-20(32)14-7-18(21(23,24)25)30-28-10-14/h2,5,10-14H,3-4,6-9H2,1H3,(H,31,33);4-5,10-14H,6-9H2,1-3H3,(H,31,33);4-5,10-14H,6-9H2,1-3H3,(H,30,32);8-13H,4-7H2,1-3H3,(H,30,33);2-3,8-12H,4-7H2,1H3,(H,30,32);6-11H,2-5H2,1H3,(H,29,32) |
| InChIKey | AMTMJJAZFROVCB-UHFFFAOYSA-N |
| XLogP | 25.73 |
| TPSA | 578.59 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2856.56 |
| LogP ≤ 5 | 25.73 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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