C138H141Cl8N21O11 — CID 158219474
5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 158219474) has the molecular formula C138H141Cl8N21O11 and a molecular weight of 2553.41 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158219474 |
| Molecular Formula | C138H141Cl8N21O11 |
| Molecular Weight | 2553.41 g/mol |
| Exact Mass | 2547.86 |
| IUPAC Name | 5-chloro-N-(1-cyclopentylethyl)-1H-indole-2-carboxamide;5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-[cyclopropyl(phenyl)methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(2-methoxyethoxy)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide |
| SMILES | CC(C)C(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCN(C)CC2)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnoc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ncc[nH]1.COCCOc1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.O=C(NC(c1ccccc1)C1CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C22H25ClN4O.C20H21ClN2O3.C19H17ClN2O.C19H19ClN2O.C16H19ClN2O.C14H13ClN4O.C14H12ClN3O2.C14H15ClN2O/c1-15(16-3-6-19(7-4-16)27-11-9-26(2)10-12-27)24-22(28)21-14-17-13-18(23)5-8-20(17)25-21;1-13(14-3-6-17(7-4-14)26-10-9-25-2)22-20(24)19-12-15-11-16(21)5-8-18(15)23-19;20-15-8-9-16-14(10-15)11-17(21-16)19(23)22-18(13-6-7-13)12-4-2-1-3-5-12;1-12(2)18(13-6-4-3-5-7-13)22-19(23)17-11-14-10-15(20)8-9-16(14)21-17;1-10(11-4-2-3-5-11)18-16(20)15-9-12-8-13(17)6-7-14(12)19-15;1-8(13-16-4-5-17-13)18-14(20)12-7-9-6-10(15)2-3-11(9)19-12;1-8(10-6-16-20-7-10)17-14(19)13-5-9-4-11(15)2-3-12(9)18-13;1-8(9-2-3-9)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h3-8,13-15,25H,9-12H2,1-2H3,(H,24,28);3-8,11-13,23H,9-10H2,1-2H3,(H,22,24);1-5,8-11,13,18,21H,6-7H2,(H,22,23);3-12,18,21H,1-2H3,(H,22,23);6-11,19H,2-5H2,1H3,(H,18,20);2-8,19H,1H3,(H,16,17)(H,18,20);2-8,18H,1H3,(H,17,19);4-9,17H,2-3H2,1H3,(H,16,18) |
| InChIKey | GDBJILFFPZMHMH-UHFFFAOYSA-N |
| XLogP | 31.87 |
| TPSA | 438.77 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2553.41 |
| LogP ≤ 5 | 31.87 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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