C98H116Cl6F2N16O9 — CID 159735923
(5-chloro-1H-indazol-7-yl)-(1-cyclobutylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclopropylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 159735923) has the molecular formula C98H116Cl6F2N16O9 and a molecular weight of 1912.82 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(1-cyclobutylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclopropylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
| Compound Name | (5-chloro-1H-indazol-7-yl)-(1-cyclobutylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclopropylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 159735923 |
| Molecular Formula | C98H116Cl6F2N16O9 |
| Molecular Weight | 1912.82 g/mol |
| Exact Mass | 1908.72 |
| IUPAC Name | (5-chloro-1H-indazol-7-yl)-(1-cyclobutylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclopropylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide |
| SMILES | CC(C)(C1CCN(C(=O)Nc2ccccc2Cl)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.COc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.O=C(NC1CC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CCC2)CCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1 |
| InChI | InChI=1S/C24H29ClN4O3.C23H26Cl2N4O2.C18H21ClF2N4O2.C17H21ClN2O.C16H19ClN2O/c1-24(2,22(30)20-13-17(25)12-15-14-26-28-21(15)20)16-8-10-29(11-9-16)23(31)27-18-4-6-19(32-3)7-5-18;1-23(2,21(30)17-12-16(24)11-14-13-26-28-20(14)17)15-7-9-29(10-8-15)22(31)27-19-6-4-3-5-18(19)25;19-12-7-10-9-22-24-15(10)14(8-12)16(26)18(20,21)11-3-5-25(6-4-11)17(27)23-13-1-2-13;18-13-8-11-10-19-20-15(11)14(9-13)16(21)17(6-7-17)12-4-2-1-3-5-12;17-12-7-10-9-18-19-14(10)13(8-12)15(20)16(5-2-6-16)11-3-1-4-11/h4-7,12-14,16,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);3-6,11-13,15,21,30H,7-10H2,1-2H3,(H,26,28)(H,27,31);7-9,11,13,16,26H,1-6H2,(H,22,24)(H,23,27);8-10,12,16,21H,1-7H2,(H,19,20);7-9,11,15,20H,1-6H2,(H,18,19) |
| InChIKey | NBVMHEXWKCPNFG-UHFFFAOYSA-N |
| XLogP | 23.40 |
| TPSA | 350.80 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 131 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1912.82 |
| LogP ≤ 5 | 23.40 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 14 |