C185H215F24N29O26 — CID 157092087
N-[2-[[1-[4-(6-cyclobutyloxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[6-(2-fluoroacetyl)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-isocyano-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-5-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-propan-2-yloxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;molecular fluorine (PubChem CID 157092087) has the molecular formula C185H215F24N29O26 and a molecular weight of 3716.88 g/mol. Its IUPAC name is N-[2-[[1-[4-(6-cyclobutyloxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[6-(2-fluoroacetyl)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-isocyano-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-5-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-propan-2-yloxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;molecular fluorine.
| Compound Name | N-[2-[[1-[4-(6-cyclobutyloxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[6-(2-fluoroacetyl)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-isocyano-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-5-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-propan-2-yloxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;molecular fluorine |
|---|---|
| PubChem CID | 157092087 |
| Molecular Formula | C185H215F24N29O26 |
| Molecular Weight | 3716.88 g/mol |
| Exact Mass | 3714.60 |
| IUPAC Name | N-[2-[[1-[4-(6-cyclobutyloxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[6-(2-fluoroacetyl)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-isocyano-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-5-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-propan-2-yloxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;molecular fluorine |
| SMILES | CC(C)(C)Oc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.CC(C)Oc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.COc1ncc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C.Cc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.FF.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3ccc(C(=O)CF)nc3)CC2)C1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3ccc(OC4CCC4)nc3)CC2)C1.[C-]#[N+]c1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 |
| InChI | InChI=1S/C28H33F3N4O4.C28H35F3N4O4.C27H33F3N4O4.C26H28F4N4O4.C26H31F3N4O4.C25H26F3N5O3.C25H29F3N4O3.F2/c29-28(30,31)19-4-1-3-18(13-19)26(37)33-15-24(36)34-21-16-35(17-21)22-9-11-27(38,12-10-22)20-7-8-25(32-14-20)39-23-5-2-6-23;1-26(2,3)39-24-8-7-20(14-32-24)27(38)11-9-22(10-12-27)35-16-21(17-35)34-23(36)15-33-25(37)18-5-4-6-19(13-18)28(29,30)31;1-17(2)38-24-7-6-20(13-31-24)26(37)10-8-22(9-11-26)34-15-21(16-34)33-23(35)14-32-25(36)18-4-3-5-19(12-18)27(28,29)30;27-11-22(35)21-5-4-18(12-31-21)25(38)8-6-20(7-9-25)34-14-19(15-34)33-23(36)13-32-24(37)16-2-1-3-17(10-16)26(28,29)30;1-16-10-19(12-31-24(16)37-2)25(36)8-6-21(7-9-25)33-14-20(15-33)32-22(34)13-30-23(35)17-4-3-5-18(11-17)26(27,28)29;1-29-21-6-5-18(12-30-21)24(36)9-7-20(8-10-24)33-14-19(15-33)32-22(34)13-31-23(35)16-3-2-4-17(11-16)25(26,27)28;1-16-5-6-19(12-29-16)24(35)9-7-21(8-10-24)32-14-20(15-32)31-22(33)13-30-23(34)17-3-2-4-18(11-17)25(26,27)28;1-2/h1,3-4,7-8,13-14,21-23,38H,2,5-6,9-12,15-17H2,(H,33,37)(H,34,36);4-8,13-14,21-22,38H,9-12,15-17H2,1-3H3,(H,33,37)(H,34,36);3-7,12-13,17,21-22,37H,8-11,14-16H2,1-2H3,(H,32,36)(H,33,35);1-5,10,12,19-20,38H,6-9,11,13-15H2,(H,32,37)(H,33,36);3-5,10-12,20-21,36H,6-9,13-15H2,1-2H3,(H,30,35)(H,32,34);2-6,11-12,19-20,36H,7-10,13-15H2,(H,31,35)(H,32,34);2-6,11-12,20-21,35H,7-10,13-15H2,1H3,(H,30,34)(H,31,33); |
| InChIKey | AETXUZWCTLSIFV-UHFFFAOYSA-N |
| XLogP | 22.29 |
| TPSA | 720.27 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 264 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3716.88 |
| LogP ≤ 5 | 22.29 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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