C176H186F12N34O23 — CID 158148052
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158148052) has the molecular formula C176H186F12N34O23 and a molecular weight of 3373.61 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
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| PubChem CID | 158148052 |
| Molecular Formula | C176H186F12N34O23 |
| Molecular Weight | 3373.61 g/mol |
| Exact Mass | 3371.42 |
| IUPAC Name | 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CCn1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)n(C)c(=O)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cc(CN(C)C)cc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 |
| InChI | InChI=1S/C28H31F3N4O3.C26H28N6O3.C25H26F3N5O4.C25H29N5O4.C25H27N5O3.C24H23F3N4O3.C23H22F3N5O3/c1-18-5-6-23(32-27(37)21-11-19(17-33(2)3)12-22(13-21)28(29,30)31)16-24(18)20-14-25(34(4)26(36)15-20)35-7-9-38-10-8-35;1-17-21(19-12-23(31(4)24(33)13-19)32-7-9-35-10-8-32)14-20(15-29-17)30-25(34)18-5-6-28-22(11-18)26(2,3)16-27;1-4-32-14-17(9-20(24(32)36)25(26,27)28)23(35)30-18-12-19(15(2)29-13-18)16-10-21(31(3)22(34)11-16)33-5-7-37-8-6-33;1-16-20(18-12-22(29(4)23(31)13-18)30-7-9-34-10-8-30)14-19(15-27-16)28-24(32)17-5-6-26-21(11-17)25(2,3)33;1-16-3-6-20(27-25(32)19-11-22(17-4-5-17)28-26-15-19)14-21(16)18-12-23(29(2)24(31)13-18)30-7-9-33-10-8-30;1-15-20(17-11-21(30(2)22(32)12-17)31-6-8-34-9-7-31)13-19(14-28-15)29-23(33)16-4-3-5-18(10-16)24(25,26)27;1-14-18(16-10-20(30(2)21(32)11-16)31-5-7-34-8-6-31)12-17(13-28-14)29-22(33)15-3-4-27-19(9-15)23(24,25)26/h5-6,11-16H,7-10,17H2,1-4H3,(H,32,37);5-6,11-15H,7-10H2,1-4H3,(H,30,34);9-14H,4-8H2,1-3H3,(H,30,35);5-6,11-15,33H,7-10H2,1-4H3,(H,28,32);3,6,11-15,17H,4-5,7-10H2,1-2H3,(H,27,32);3-5,10-14H,6-9H2,1-2H3,(H,29,33);3-4,9-13H,5-8H2,1-2H3,(H,29,33) |
| InChIKey | FUTJMFGLZOQIBF-UHFFFAOYSA-N |
| XLogP | 23.32 |
| TPSA | 643.15 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 245 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3373.61 |
| LogP ≤ 5 | 23.32 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'} |
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