C141H141Cl6F2N27O9 — CID 158412125
5-chloro-N-[1-(1-ethylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-imidazol-2-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopentyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 158412125) has the molecular formula C141H141Cl6F2N27O9 and a molecular weight of 2608.57 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-ethylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-imidazol-2-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopentyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(1-ethylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-imidazol-2-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopentyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158412125 |
| Molecular Formula | C141H141Cl6F2N27O9 |
| Molecular Weight | 2608.57 g/mol |
| Exact Mass | 2603.95 |
| IUPAC Name | 5-chloro-N-[1-(1-ethylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-imidazol-2-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopentyl]-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide |
| SMILES | CCn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.Cc1cnc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)[nH]1.Cn1cc(C2(NC(=O)c3cc4cc(O)ccc4[nH]3)CC2)cn1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)n1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CCC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CCCC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CCCCC2)c1.Cn1ccc(C2(NC(=O)c3cc4ccc(C(F)F)cc4[nH]3)CC2)c1 |
| InChI | InChI=1S/C20H22ClN3O.C19H20ClN3O.2C18H18ClN3O.C18H17F2N3O.2C16H15ClN4O.C16H16N4O2/c1-24-10-7-15(13-24)20(8-3-2-4-9-20)23-19(25)18-12-14-11-16(21)5-6-17(14)22-18;1-23-9-6-14(12-23)19(7-2-3-8-19)22-18(24)17-11-13-10-15(20)4-5-16(13)21-17;1-22-8-5-13(11-22)18(6-2-7-18)21-17(23)16-10-12-9-14(19)3-4-15(12)20-16;1-2-22-8-5-13(11-22)18(6-7-18)21-17(23)16-10-12-9-14(19)3-4-15(12)20-16;1-23-7-4-13(10-23)18(5-6-18)22-17(24)15-8-11-2-3-12(16(19)20)9-14(11)21-15;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;1-9-8-18-15(19-9)16(4-5-16)21-14(22)13-7-10-6-11(17)2-3-12(10)20-13;1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-7-10-6-12(21)2-3-13(10)18-14/h5-7,10-13,22H,2-4,8-9H2,1H3,(H,23,25);4-6,9-12,21H,2-3,7-8H2,1H3,(H,22,24);2*3-5,8-11,20H,2,6-7H2,1H3,(H,21,23);2-4,7-10,16,21H,5-6H2,1H3,(H,22,24);2-4,7-9,18H,5-6H2,1H3,(H,19,22);2-3,6-8,20H,4-5H2,1H3,(H,18,19)(H,21,22);2-3,6-9,18,21H,4-5H2,1H3,(H,19,22) |
| InChIKey | GZLDGKLGKHNRLU-UHFFFAOYSA-N |
| XLogP | 29.27 |
| TPSA | 468.32 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2608.57 |
| LogP ≤ 5 | 29.27 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 19 |