C118H104Cl5F2N23O11 — CID 158789189
5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide (PubChem CID 158789189) has the molecular formula C118H104Cl5F2N23O11 and a molecular weight of 2235.54 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158789189 |
| Molecular Formula | C118H104Cl5F2N23O11 |
| Molecular Weight | 2235.54 g/mol |
| Exact Mass | 2231.67 |
| IUPAC Name | 5-chloro-N-[1-(2-methyl-1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-4-ylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide |
| SMILES | Cc1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)no1.Cc1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)no1.Cc1nc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)co1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CCC2)cn1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)n1.O=C(NC1(c2ccccc2)COC1)c1cc2ccc(C(F)F)cc2[nH]1.O=C(NC1(c2ccncc2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C19H16F2N2O2.C17H17ClN4O.C17H14ClN3O.C17H14N4O2.C16H15ClN4O.2C16H14ClN3O2/c20-17(21)13-7-6-12-8-16(22-15(12)9-13)18(24)23-19(10-25-11-19)14-4-2-1-3-5-14;1-22-10-12(9-19-22)17(5-2-6-17)21-16(23)15-8-11-7-13(18)3-4-14(11)20-15;18-13-1-2-14-11(9-13)10-15(20-14)16(22)21-17(5-6-17)12-3-7-19-8-4-12;1-10-6-15(21-23-10)17(4-5-17)20-16(22)14-8-12-7-11(9-18)2-3-13(12)19-14;1-21-7-4-14(20-21)16(5-6-16)19-15(22)13-9-10-8-11(17)2-3-12(10)18-13;1-9-18-14(8-22-9)16(4-5-16)20-15(21)13-7-10-6-11(17)2-3-12(10)19-13;1-9-6-14(20-22-9)16(4-5-16)19-15(21)13-8-10-7-11(17)2-3-12(10)18-13/h1-9,17,22H,10-11H2,(H,23,24);3-4,7-10,20H,2,5-6H2,1H3,(H,21,23);1-4,7-10,20H,5-6H2,(H,21,22);2-3,6-8,19H,4-5H2,1H3,(H,20,22);2-4,7-9,18H,5-6H2,1H3,(H,19,22);2-3,6-8,19H,4-5H2,1H3,(H,20,21);2-3,6-8,18H,4-5H2,1H3,(H,19,21) |
| InChIKey | ISBCQFVFLKQLAB-UHFFFAOYSA-N |
| XLogP | 23.56 |
| TPSA | 473.87 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2235.54 |
| LogP ≤ 5 | 23.56 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 20 |