C123H154BrF3N22O18 — CID 160787193
N-[2-[[1-[4-(5-bromo-2-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-[6-(dimethylamino)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methoxybenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-(4-hydroxy-4-pyrimidin-5-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 160787193) has the molecular formula C123H154BrF3N22O18 and a molecular weight of 2365.62 g/mol. Its IUPAC name is N-[2-[[1-[4-(5-bromo-2-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-[6-(dimethylamino)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methoxybenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-(4-hydroxy-4-pyrimidin-5-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[2-[[1-[4-(5-bromo-2-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-[6-(dimethylamino)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methoxybenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-(4-hydroxy-4-pyrimidin-5-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 160787193 |
| Molecular Formula | C123H154BrF3N22O18 |
| Molecular Weight | 2365.62 g/mol |
| Exact Mass | 2363.09 |
| IUPAC Name | N-[2-[[1-[4-(5-bromo-2-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-[6-(dimethylamino)-3-pyridinyl]-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methoxybenzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-(4-hydroxy-4-pyrimidin-5-ylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide |
| SMILES | COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C)c4)C3)CC2)cn1.COc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(O)(c4ccc(OC)nc4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(O)(c4ccc(Br)cn4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(O)(c4ccc(N(C)C)nc4)CC3)C2)c1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cncnc3)CC2)C1 |
| InChI | InChI=1S/C26H35N5O3.C25H32N4O5.C25H32N4O4.C24H29BrN4O3.C23H26F3N5O3/c1-18-5-4-6-19(13-18)25(33)28-15-24(32)29-21-16-31(17-21)22-9-11-26(34,12-10-22)20-7-8-23(27-14-20)30(2)3;1-33-21-5-3-4-17(12-21)24(31)27-14-22(30)28-19-15-29(16-19)20-8-10-25(32,11-9-20)18-6-7-23(34-2)26-13-18;1-17-4-3-5-18(12-17)24(31)27-14-22(30)28-20-15-29(16-20)21-8-10-25(32,11-9-21)19-6-7-23(33-2)26-13-19;1-16-3-2-4-17(11-16)23(31)27-13-22(30)28-19-14-29(15-19)20-7-9-24(32,10-8-20)21-6-5-18(25)12-26-21;24-23(25,26)16-3-1-2-15(8-16)21(33)29-11-20(32)30-18-12-31(13-18)19-4-6-22(34,7-5-19)17-9-27-14-28-10-17/h4-8,13-14,21-22,34H,9-12,15-17H2,1-3H3,(H,28,33)(H,29,32);3-7,12-13,19-20,32H,8-11,14-16H2,1-2H3,(H,27,31)(H,28,30);3-7,12-13,20-21,32H,8-11,14-16H2,1-2H3,(H,27,31)(H,28,30);2-6,11-12,19-20,32H,7-10,13-15H2,1H3,(H,27,31)(H,28,30);1-3,8-10,14,18-19,34H,4-7,11-13H2,(H,29,33)(H,30,32) |
| InChIKey | SBJATPDUXHHVIF-UHFFFAOYSA-N |
| XLogP | 9.40 |
| TPSA | 516.62 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2365.62 |
| LogP ≤ 5 | 9.40 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |