C89H81Cl2F9N14O8 — CID 161187711
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 161187711) has the molecular formula C89H81Cl2F9N14O8 and a molecular weight of 1716.60 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 161187711 |
| Molecular Formula | C89H81Cl2F9N14O8 |
| Molecular Weight | 1716.60 g/mol |
| Exact Mass | 1714.56 |
| IUPAC Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
| SMILES | CC(NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1cnn(C)c1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CCCC2)cn1.O=C(NC1(c2ccccc2)CC1)C1Cc2cc(Cl)ccc2N1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(OC(F)(F)F)ccc2[nH]1 |
| InChI | InChI=1S/C19H15F3N2O2.C18H19ClN4O.C18H17ClN2O.C18H15F3N2O2.C16H15F3N4O2/c20-19(21,22)26-14-6-7-15-12(10-14)11-16(23-15)17(25)24-18(8-9-18)13-4-2-1-3-5-13;1-23-11-13(10-20-23)18(6-2-3-7-18)22-17(24)16-9-12-8-14(19)4-5-15(12)21-16;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;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;1-9(11-7-20-23(2)8-11)21-15(24)14-6-10-5-12(25-16(17,18)19)3-4-13(10)22-14/h1-7,10-11,23H,8-9H2,(H,24,25);4-5,8-11,21H,2-3,6-7H2,1H3,(H,22,24);1-7,10,16,20H,8-9,11H2,(H,21,22);2-11,23H,1H3,(H,22,24);3-9,22H,1-2H3,(H,21,24)/t;;;11-;/m...1./s1 |
| InChIKey | UTHORBFSNKJOBF-NOOFGZCMSA-N |
| XLogP | 19.57 |
| TPSA | 284.02 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1716.60 |
| LogP ≤ 5 | 19.57 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 13 |