C105H94Cl6N18O9 — CID 160902898
5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 160902898) has the molecular formula C105H94Cl6N18O9 and a molecular weight of 1964.74 g/mol. Its IUPAC name is 5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 160902898 |
| Molecular Formula | C105H94Cl6N18O9 |
| Molecular Weight | 1964.74 g/mol |
| Exact Mass | 1960.56 |
| IUPAC Name | 5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(oxan-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(3-phenyloxetan-3-yl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide |
| SMILES | CC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1.O=C(NC1(C2CCOCC2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)COC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccn(-c3ccccc3)n2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2nc(-c3ccccc3)no2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C21H17ClN4O.C20H15ClN4O2.C18H15ClN2O2.C17H19ClN2O2.C16H15ClN4O.C13H13ClN2O/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;21-14-6-7-15-13(10-14)11-16(22-15)18(26)24-20(8-9-20)19-23-17(25-27-19)12-4-2-1-3-5-12;19-14-6-7-15-12(8-14)9-16(20-15)17(22)21-18(10-23-11-18)13-4-2-1-3-5-13;18-13-1-2-14-11(9-13)10-15(19-14)16(21)20-17(5-6-17)12-3-7-22-8-4-12;1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14;1-13(4-5-13)16-12(17)11-7-8-6-9(14)2-3-10(8)15-11/h1-8,11-13,23H,9-10H2,(H,24,27);1-7,10-11,22H,8-9H2,(H,24,26);1-9,20H,10-11H2,(H,21,22);1-2,9-10,12,19H,3-8H2,(H,20,21);2-3,6-9,19H,4-5H2,1H3,(H,20,22);2-3,6-7,15H,4-5H2,1H3,(H,16,17) |
| InChIKey | SPTCEQQTXQDFQJ-UHFFFAOYSA-N |
| XLogP | 21.78 |
| TPSA | 362.36 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1964.74 |
| LogP ≤ 5 | 21.78 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 15 |