C59H69Cl4N13O5 — CID 157089179
4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 157089179) has the molecular formula C59H69Cl4N13O5 and a molecular weight of 1182.10 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one.
| Compound Name | 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one |
|---|---|
| PubChem CID | 157089179 |
| Molecular Formula | C59H69Cl4N13O5 |
| Molecular Weight | 1182.10 g/mol |
| Exact Mass | 1179.43 |
| IUPAC Name | 4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one |
| SMILES | CC(C)C(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.NC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(C1CC1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(CO)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1 |
| InChI | InChI=1S/C16H18ClN3O.C16H20ClN3O.C14H16ClN3O2.C13H15ClN4O/c17-12-7-13(14-9-18-19-15(14)8-12)10-3-5-20(6-4-10)16(21)11-1-2-11;1-10(2)16(21)20-5-3-11(4-6-20)13-7-12(17)8-15-14(13)9-18-19-15;15-10-5-11(12-7-16-17-13(12)6-10)9-1-3-18(4-2-9)14(20)8-19;14-9-5-10(11-7-16-17-12(11)6-9)8-1-3-18(4-2-8)13(15)19/h7-11H,1-6H2,(H,18,19);7-11H,3-6H2,1-2H3,(H,18,19);5-7,9,19H,1-4,8H2,(H,16,17);5-8H,1-4H2,(H2,15,19)(H,16,17) |
| InChIKey | AELNAOMUPMUVJE-UHFFFAOYSA-N |
| XLogP | 11.30 |
| TPSA | 242.21 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 81 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1182.10 |
| LogP ≤ 5 | 11.30 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 9 |