C146H162F12N22O20 — CID 159986924
N-ethyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-methyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-N-propyl-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159986924) has the molecular formula C146H162F12N22O20 and a molecular weight of 2773.01 g/mol. Its IUPAC name is N-ethyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-methyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-N-propyl-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | N-ethyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-methyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-N-propyl-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159986924 |
| Molecular Formula | C146H162F12N22O20 |
| Molecular Weight | 2773.01 g/mol |
| Exact Mass | 2771.21 |
| IUPAC Name | N-ethyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-methyl-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-N-propyl-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1cnc(C)c(-c2cnc(OC3CCOCC3)c(N3CCOCC3)c2)c1.CCN(C(=O)c1cccc(C(F)(F)F)c1)c1cnc(C)c(-c2cnc(OC3CCOCC3)c(N3CCOCC3)c2)c1.Cc1ncc(N(C)C(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C31H35F3N4O4.C30H33F3N4O4.C29H31F3N4O4.C29H35N5O4.C27H28F3N5O4/c1-3-9-38(30(39)22-5-4-6-24(16-22)31(32,33)34)25-18-27(21(2)35-20-25)23-17-28(37-10-14-41-15-11-37)29(36-19-23)42-26-7-12-40-13-8-26;1-3-37(29(38)21-5-4-6-23(15-21)30(31,32)33)24-17-26(20(2)34-19-24)22-16-27(36-9-13-40-14-10-36)28(35-18-22)41-25-7-11-39-12-8-25;1-19-25(16-23(18-33-19)35(2)28(37)20-4-3-5-22(14-20)29(30,31)32)21-15-26(36-8-12-39-13-9-36)27(34-17-21)40-24-6-10-38-11-7-24;1-19(2)26-14-21(4-7-30-26)28(35)33-23-16-25(20(3)31-18-23)22-15-27(34-8-12-37-13-9-34)29(32-17-22)38-24-5-10-36-11-6-24;1-17-22(14-20(16-32-17)34-25(36)18-2-5-31-24(13-18)27(28,29)30)19-12-23(35-6-10-38-11-7-35)26(33-15-19)39-21-3-8-37-9-4-21/h4-6,16-20,26H,3,7-15H2,1-2H3;4-6,15-19,25H,3,7-14H2,1-2H3;3-5,14-18,24H,6-13H2,1-2H3;4,7,14-19,24H,5-6,8-13H2,1-3H3,(H,33,35);2,5,12-16,21H,3-4,6-11H2,1H3,(H,34,36) |
| InChIKey | OGLMMXYBKYYUKL-UHFFFAOYSA-N |
| XLogP | 25.73 |
| TPSA | 428.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2773.01 |
| LogP ≤ 5 | 25.73 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 37 |