C96H103Cl4N15O7 — CID 159500230
5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[oxan-4-yl(phenyl)methyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide (PubChem CID 159500230) has the molecular formula C96H103Cl4N15O7 and a molecular weight of 1720.79 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[oxan-4-yl(phenyl)methyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[oxan-4-yl(phenyl)methyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159500230 |
| Molecular Formula | C96H103Cl4N15O7 |
| Molecular Weight | 1720.79 g/mol |
| Exact Mass | 1717.69 |
| IUPAC Name | 5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[oxan-4-yl(phenyl)methyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide |
| SMILES | CC(C)C(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1.CC(C)Oc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1.CN1CCC(C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2)CC1.O=C(NC(c1ccccc1)C1CCOCC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C22H24ClN3O.C21H21ClN2O2.C20H22N2O2.C17H19ClN4O.C16H17ClN4O/c1-26-11-9-16(10-12-26)21(15-5-3-2-4-6-15)25-22(27)20-14-17-13-18(23)7-8-19(17)24-20;22-17-6-7-18-16(12-17)13-19(23-18)21(25)24-20(14-4-2-1-3-5-14)15-8-10-26-11-9-15;1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15;1-10(2)16(12-8-19-22(3)9-12)21-17(23)15-7-11-6-13(18)4-5-14(11)20-15;1-3-13(11-8-18-21(2)9-11)20-16(22)15-7-10-6-12(17)4-5-14(10)19-15/h2-8,13-14,16,21,24H,9-12H2,1H3,(H,25,27);1-7,12-13,15,20,23H,8-11H2,(H,24,25);4-14,22H,1-3H3,(H,21,23);4-10,16,20H,1-3H3,(H,21,23);4-9,13,19H,3H2,1-2H3,(H,20,22)/t;;14-;;/m..1../s1 |
| InChIKey | LZHFYZUNTQSUEI-ZOCYYSMUSA-N |
| XLogP | 20.92 |
| TPSA | 281.79 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1720.79 |
| LogP ≤ 5 | 20.92 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 12 |