C126H128Cl7FN22O12S — CID 161330230
5-chloro-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide;5-chloro-N-[4-(methanesulfonamido)butan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 161330230) has the molecular formula C126H128Cl7FN22O12S and a molecular weight of 2441.79 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide;5-chloro-N-[4-(methanesulfonamido)butan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide;5-chloro-N-[4-(methanesulfonamido)butan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 161330230 |
| Molecular Formula | C126H128Cl7FN22O12S |
| Molecular Weight | 2441.79 g/mol |
| Exact Mass | 2436.76 |
| IUPAC Name | 5-chloro-N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide;5-chloro-N-[4-(methanesulfonamido)butan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide |
| SMILES | CC(CCNS(C)(=O)=O)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccccc2F)c1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccccc2)no1.CCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1.Cc1ccccc1C1CCN(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1.O=C(NC1CCCCC1O)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C22H24ClN3O.C20H16ClFN4O.C19H15ClN4O2.C18H21ClN4O2.C18H17ClN2O.C15H17ClN2O2.C14H18ClN3O3S/c1-15-4-2-3-5-19(15)16-8-10-26(14-16)11-9-24-22(27)21-13-17-12-18(23)6-7-20(17)25-21;1-12(14-10-23-26(11-14)19-5-3-2-4-16(19)22)24-20(27)18-9-13-8-15(21)6-7-17(13)25-18;1-11(19-23-17(24-26-19)12-5-3-2-4-6-12)21-18(25)16-10-13-9-14(20)7-8-15(13)22-16;1-4-23(10-16-21-17(25-22-16)7-11(2)3)18(24)15-9-12-8-13(19)5-6-14(12)20-15;1-2-15(12-6-4-3-5-7-12)21-18(22)17-11-13-10-14(19)8-9-16(13)20-17;16-10-5-6-11-9(7-10)8-13(17-11)15(20)18-12-3-1-2-4-14(12)19;1-9(5-6-16-22(2,20)21)17-14(19)13-8-10-7-11(15)3-4-12(10)18-13/h2-7,12-13,16,25H,8-11,14H2,1H3,(H,24,27);2-12,25H,1H3,(H,24,27);2-11,22H,1H3,(H,21,25);5-6,8-9,11,20H,4,7,10H2,1-3H3;3-11,15,20H,2H2,1H3,(H,21,22);5-8,12,14,17,19H,1-4H2,(H,18,20);3-4,7-9,16,18H,5-6H2,1-2H3,(H,17,19) |
| InChIKey | VLHXZVREACMTEW-UHFFFAOYSA-N |
| XLogP | 26.85 |
| TPSA | 470.74 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2441.79 |
| LogP ≤ 5 | 26.85 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 19 |