C160H140F21N27O21 — CID 157464326
5-(4-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157464326) has the molecular formula C160H140F21N27O21 and a molecular weight of 3176.01 g/mol. Its IUPAC name is 5-(4-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(4-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157464326 |
| Molecular Formula | C160H140F21N27O21 |
| Molecular Weight | 3176.01 g/mol |
| Exact Mass | 3174.04 |
| IUPAC Name | 5-(4-cyano-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2N2CC[C@@H](O)C2)cn1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCC(O)C2)cn1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](O)C2)cn1.N#Cc1ccncc1-c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnc1N1CC[C@@H](O)C1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CC[C@@H](O)C2)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cccnc2)c1 |
| InChI | InChI=1S/C24H22F3N3O3.C23H18F3N5O3.2C23H21F3N4O3.C23H20F3N3O3.2C22H19F3N4O3/c1-15-2-3-17(13-28-15)21-12-16(4-9-22(21)30-11-10-19(31)14-30)23(32)29-18-5-7-20(8-6-18)33-24(25,26)27;24-23(25,26)34-18-3-1-16(2-4-18)30-22(33)15-9-19(20-12-28-7-5-14(20)10-27)21(29-11-15)31-8-6-17(32)13-31;2*1-14-2-3-15(11-27-14)20-10-16(12-28-21(20)30-9-8-18(31)13-30)22(32)29-17-4-6-19(7-5-17)33-23(24,25)26;24-23(25,26)32-19-6-4-17(5-7-19)28-22(31)15-3-8-21(29-11-9-18(30)14-29)20(12-15)16-2-1-10-27-13-16;2*23-22(24,25)32-18-5-3-16(4-6-18)28-21(31)15-10-19(14-2-1-8-26-11-14)20(27-12-15)29-9-7-17(30)13-29/h2-9,12-13,19,31H,10-11,14H2,1H3,(H,29,32);1-5,7,9,11-12,17,32H,6,8,13H2,(H,30,33);2*2-7,10-12,18,31H,8-9,13H2,1H3,(H,29,32);1-8,10,12-13,18,30H,9,11,14H2,(H,28,31);2*1-6,8,10-12,17,30H,7,9,13H2,(H,28,31)/t19-;17-;18-;;18-;17-;/m110.11./s1 |
| InChIKey | BUHHUKKPIMTVHB-OIBFQGTPSA-N |
| XLogP | 29.07 |
| TPSA | 611.07 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3176.01 |
| LogP ≤ 5 | 29.07 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 41 |