C123H111Cl6N23O9 — CID 158322372
5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 158322372) has the molecular formula C123H111Cl6N23O9 and a molecular weight of 2268.11 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158322372 |
| Molecular Formula | C123H111Cl6N23O9 |
| Molecular Weight | 2268.11 g/mol |
| Exact Mass | 2263.71 |
| IUPAC Name | 5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide |
| SMILES | CC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1.O=C(NC1(C2CCCCC2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccn(-c3ccccc3)n2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2nc(-c3ccccc3)no2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C21H17ClN4O.C20H15ClN4O2.C18H15ClN2O2.C18H21ClN2O.C17H15N5O.C16H15ClN4O.C13H13ClN2O/c22-15-6-7-17-14(12-15)13-18(23-17)20(27)24-21(9-10-21)19-8-11-26(25-19)16-4-2-1-3-5-16;21-14-6-7-15-13(10-14)11-16(22-15)18(26)24-20(8-9-20)19-23-17(25-27-19)12-4-2-1-3-5-12;19-14-6-7-15-12(8-14)9-16(20-15)17(22)21-18(10-23-11-18)13-4-2-1-3-5-13;19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13;1-22-10-13(9-19-22)17(4-5-17)21-16(23)15-7-12-6-11(8-18)2-3-14(12)20-15;1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14;1-13(4-5-13)16-12(17)11-7-8-6-9(14)2-3-10(8)15-11/h1-8,11-13,23H,9-10H2,(H,24,27);1-7,10-11,22H,8-9H2,(H,24,26);1-9,20H,10-11H2,(H,21,22);6-7,10-11,13,20H,1-5,8-9H2,(H,21,22);2-3,6-7,9-10,20H,4-5H2,1H3,(H,21,23);2-3,6-9,19H,4-5H2,1H3,(H,20,22);2-3,6-7,15H,4-5H2,1H3,(H,16,17) |
| InChIKey | GOZUOCBYLGSKBF-UHFFFAOYSA-N |
| XLogP | 25.13 |
| TPSA | 439.63 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2268.11 |
| LogP ≤ 5 | 25.13 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 18 |