C113H101Cl3F3N21O7 — CID 158657340
5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 158657340) has the molecular formula C113H101Cl3F3N21O7 and a molecular weight of 2028.54 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158657340 |
| Molecular Formula | C113H101Cl3F3N21O7 |
| Molecular Weight | 2028.54 g/mol |
| Exact Mass | 2025.72 |
| IUPAC Name | 5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-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-cyano-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide |
| SMILES | COc1ccc2cc(C(=O)NC3(c4ccn(C)c4)CC3)[nH]c2c1.Cn1ccc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)CC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)c1.Cn1ccc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.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.C18H16F3N3O.C18H16N4O.C18H19N3O2.C17H16ClN3O/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;1-24-7-4-13(10-24)17(5-6-17)23-16(25)15-9-11-8-12(18(19,20)21)2-3-14(11)22-15;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;1-21-8-5-13(11-21)18(6-7-18)20-17(22)16-9-12-3-4-14(23-2)10-15(12)19-16;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/h1-8,11-13,23H,9-10H2,(H,24,27);1-7,10-13,24H,8-9H2,(H,25,27);2-4,7-10,22H,5-6H2,1H3,(H,23,25);2-4,7-9,11,20H,5-6H2,1H3,(H,21,23);3-5,8-11,19H,6-7H2,1-2H3,(H,20,22);2-4,7-10,19H,5-6H2,1H3,(H,20,22) |
| InChIKey | ICHPDKHLOCUDPW-UHFFFAOYSA-N |
| XLogP | 22.11 |
| TPSA | 357.72 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2028.54 |
| LogP ≤ 5 | 22.11 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 16 |