C120H144Cl4F3N15O10 — CID 159353400
1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 159353400) has the molecular formula C120H144Cl4F3N15O10 and a molecular weight of 2155.37 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.
| Compound Name | 1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide |
|---|---|
| PubChem CID | 159353400 |
| Molecular Formula | C120H144Cl4F3N15O10 |
| Molecular Weight | 2155.37 g/mol |
| Exact Mass | 2151.99 |
| IUPAC Name | 1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide |
| SMILES | COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12 |
| InChI | InChI=1S/C32H36ClN3O3.C31H33ClF3N5O2.C29H39ClN4O2.C28H36ClN3O3/c1-23-8-5-9-24(20-23)21-34-32(37)27-22-36(31-26(27)10-6-13-30(31)38-2)17-7-16-35-18-14-25(15-19-35)39-29-12-4-3-11-28(29)33;1-21-6-3-7-22(16-21)18-37-30(41)25-20-40(28-24(25)8-4-9-27(28)42-2)11-5-10-38-12-14-39(15-13-38)29-26(32)17-23(19-36-29)31(33,34)35;1-22(2)19-31-29(35)25-21-34(28-24(25)10-6-12-27(28)36-3)16-8-14-32-13-7-15-33(18-17-32)20-23-9-4-5-11-26(23)30;1-20(2)18-30-28(33)23-19-32(27-22(23)8-6-11-26(27)34-3)15-7-14-31-16-12-21(13-17-31)35-25-10-5-4-9-24(25)29/h3-6,8-13,20,22,25H,7,14-19,21H2,1-2H3,(H,34,37);3-4,6-9,16-17,19-20H,5,10-15,18H2,1-2H3,(H,37,41);4-6,9-12,21-22H,7-8,13-20H2,1-3H3,(H,31,35);4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,33) |
| InChIKey | LHPQLBOEKQHNFC-UHFFFAOYSA-N |
| XLogP | 23.55 |
| TPSA | 223.83 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 152 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2155.37 |
| LogP ≤ 5 | 23.55 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 21 |