C122H113Cl6F3N20O12S2 — CID 161130009
5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[methyl(methylsulfonyl)amino]propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylazetidin-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-3-ylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 161130009) has the molecular formula C122H113Cl6F3N20O12S2 and a molecular weight of 2385.22 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[methyl(methylsulfonyl)amino]propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylazetidin-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-3-ylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[methyl(methylsulfonyl)amino]propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylazetidin-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-3-ylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 161130009 |
| Molecular Formula | C122H113Cl6F3N20O12S2 |
| Molecular Weight | 2385.22 g/mol |
| Exact Mass | 2380.64 |
| IUPAC Name | 5-chloro-N-[1-(4-methoxyphenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[methyl(methylsulfonyl)amino]propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylazetidin-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-3-ylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide |
| SMILES | CC(CN(C)S(C)(=O)=O)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CN(S(C)(=O)=O)C1.COc1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(C(F)(F)F)ccc2[nH]1.O=C(NC1(c2ccccn2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2cccnc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2cnn(-c3ccccc3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C21H17ClN4O.C19H17ClN2O2.C19H15F3N2O.2C17H14ClN3O.C15H18ClN3O3S.C14H18ClN3O3S/c22-16-6-7-18-14(10-16)11-19(24-18)20(27)25-21(8-9-21)15-12-23-26(13-15)17-4-2-1-3-5-17;1-24-15-5-2-13(3-6-15)19(8-9-19)22-18(23)17-11-12-10-14(20)4-7-16(12)21-17;20-19(21,22)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;18-13-3-4-14-11(8-13)9-15(20-14)16(22)21-17(5-6-17)12-2-1-7-19-10-12;18-12-4-5-13-11(9-12)10-14(20-13)16(22)21-17(6-7-17)15-3-1-2-8-19-15;1-9(11-7-19(8-11)23(2,21)22)17-15(20)14-6-10-5-12(16)3-4-13(10)18-14;1-9(8-18(2)22(3,20)21)16-14(19)13-7-10-6-11(15)4-5-12(10)17-13/h1-7,10-13,24H,8-9H2,(H,25,27);2-7,10-11,21H,8-9H2,1H3,(H,22,23);1-7,10-11,23H,8-9H2,(H,24,25);1-4,7-10,20H,5-6H2,(H,21,22);1-5,8-10,20H,6-7H2,(H,21,22);3-6,9,11,18H,7-8H2,1-2H3,(H,17,20);4-7,9,17H,8H2,1-3H3,(H,16,19) |
| InChIKey | UMBDAMPYLQSKEJ-UHFFFAOYSA-N |
| XLogP | 24.21 |
| TPSA | 441.82 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2385.22 |
| LogP ≤ 5 | 24.21 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 16 |