C130H116Cl6N22O7 — CID 159540172
5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 159540172) has the molecular formula C130H116Cl6N22O7 and a molecular weight of 2311.22 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159540172 |
| Molecular Formula | C130H116Cl6N22O7 |
| Molecular Weight | 2311.22 g/mol |
| Exact Mass | 2306.75 |
| IUPAC Name | 5-chloro-N-(1-cyclohexylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide |
| SMILES | Cn1ccc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.O=C(NC1(C2CCCCC2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccn2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccn(-c3ccccc3)n2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2cnn(-c3ccccc3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/2C21H17ClN4O.C18H21ClN2O.C18H15ClN2O.C18H16N4O.C17H16ClN3O.C17H14ClN3O/c22-15-6-7-17-14(12-15)13-18(23-17)20(27)24-21(9-10-21)19-8-11-26(25-19)16-4-2-1-3-5-16;22-16-6-7-18-14(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;2*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;1-22-7-4-14(11-22)18(5-6-18)21-17(23)16-9-13-8-12(10-19)2-3-15(13)20-16;1-21-7-4-12(10-21)17(5-6-17)20-16(22)15-9-11-8-13(18)2-3-14(11)19-15;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/h1-8,11-13,23H,9-10H2,(H,24,27);1-7,10-13,24H,8-9H2,(H,25,27);6-7,10-11,13,20H,1-5,8-9H2,(H,21,22);1-7,10-11,20H,8-9H2,(H,21,22);2-4,7-9,11,20H,5-6H2,1H3,(H,21,23);2-4,7-10,19H,5-6H2,1H3,(H,20,22);1-5,8-10,20H,6-7H2,(H,21,22) |
| InChIKey | MECFUEJOPKXNDO-UHFFFAOYSA-N |
| XLogP | 27.77 |
| TPSA | 396.41 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2311.22 |
| LogP ≤ 5 | 27.77 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 15 |