C117H138Cl7F5N20O10 — CID 159678870
(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol (PubChem CID 159678870) has the molecular formula C117H138Cl7F5N20O10 and a molecular weight of 2327.68 g/mol. Its IUPAC name is (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol.
| Compound Name | (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol |
|---|---|
| PubChem CID | 159678870 |
| Molecular Formula | C117H138Cl7F5N20O10 |
| Molecular Weight | 2327.68 g/mol |
| Exact Mass | 2322.86 |
| IUPAC Name | (5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethoxypiperidine-1-carboxamide;(5-chloro-1H-indazol-7-yl)-(1-propylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol |
| SMILES | CC(C)(C1CCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC1(C(O)c2c(F)c(Cl)c(F)c3cn[nH]c23)CCCCC1.CCCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1 |
| InChI | InChI=1S/C23H25ClN6O2.C19H27ClN4O3.C17H19ClN2O.C15H17ClF2N2O.2C15H19ClN2O.C13H12ClF3N2O/c1-23(2,21(31)19-10-16(24)9-14-12-27-29-20(14)19)15-5-7-30(8-6-15)22(32)28-18-4-3-17(11-25)26-13-18;1-4-27-23-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-21-22-16(12)15;18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12;1-15(5-3-2-4-6-15)14(21)9-12(18)10(16)11(17)8-7-19-20-13(8)9;1-15(2,10-4-3-5-10)14(19)12-7-11(16)6-9-8-17-18-13(9)12;1-2-4-15(5-3-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h3-4,9-10,12-13,15,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32);9-11,13,17,25H,4-8H2,1-3H3,(H,21,22)(H,23,26);5-7,11-12,21H,1-4,8-9H2,(H,19,20);7,14,21H,2-6H2,1H3,(H,19,20);6-8,10,14,19H,3-5H2,1-2H3,(H,17,18);7-9,14,19H,2-6H2,1H3,(H,17,18);4-6,11,20H,1-3H2,(H,18,19)/t21-;17-;;;;;/m11...../s1 |
| InChIKey | MUYOOJSCKQHPBE-GNZCZHQHSA-N |
| XLogP | 28.92 |
| TPSA | 452.96 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2327.68 |
| LogP ≤ 5 | 28.92 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|