C108H93Cl2F10N17O10 — CID 161042123
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-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 161042123) has the molecular formula C108H93Cl2F10N17O10 and a molecular weight of 2049.93 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-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)-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-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 | 161042123 |
| Molecular Formula | C108H93Cl2F10N17O10 |
| Molecular Weight | 2049.93 g/mol |
| Exact Mass | 2047.65 |
| IUPAC Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-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.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccc(F)cc4)COC3)cc2c1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(OC(F)(F)F)ccc2[nH]1 |
| InChI | InChI=1S/C19H15F3N2O2.C19H14FN3O2.C18H19ClN4O.C18H15ClN2O.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;20-15-4-2-14(3-5-15)19(10-25-11-19)23-18(24)17-8-13-7-12(9-21)1-6-16(13)22-17;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);1-8,22H,10-11H2,(H,23,24);4-5,8-11,21H,2-3,6-7H2,1H3,(H,22,24);1-7,10-11,20H,8-9H2,(H,21,22);2-11,23H,1H3,(H,22,24);3-9,22H,1-2H3,(H,21,24)/t;;;;11-;/m....1./s1 |
| InChIKey | UBABKFGBFUXBOJ-ULQZELJQSA-N |
| XLogP | 23.16 |
| TPSA | 365.69 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2049.93 |
| LogP ≤ 5 | 23.16 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 15 |