1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol

C100H125Cl6F5N12O6 — CID 159042313

About 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol

1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol (PubChem CID 159042313) has the molecular formula C100H125Cl6F5N12O6 and a molecular weight of 1898.89 g/mol. Its IUPAC name is 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol.

Molecular Properties

• Compound Name: 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol
• PubChem CID: 159042313
• Molecular Formula: C100H125Cl6F5N12O6
• Molecular Weight: 1898.89 g/mol
• Exact Mass: 1894.79
• IUPAC Name: 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol
• SMILES: C#CCCC(CC)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCCC1)C(O)c1c(F)c(Cl)c(F)c2cn[nH]c12.CC(C)(C1CCCCC1)C(O)c1c(F)c(Cl)c(F)c2cn[nH]c12.CC(C)(CC1CCCCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(C)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.OC(c1c(F)c(Cl)cc2cn[nH]c12)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C18H20ClFN2O.C18H25ClN2O.C17H21ClF2N2O.C17H21ClN2O.C16H19ClF2N2O.C14H19ClN2O/c19-13-4-12-8-21-22-16(12)14(15(13)20)17(23)18-5-9-1-10(6-18)3-11(2-9)7-18;1-18(2,10-12-6-4-3-5-7-12)17(22)15-9-14(19)8-13-11-20-21-16(13)15;1-17(2,9-6-4-3-5-7-9)16(23)11-14(20)12(18)13(19)10-8-21-22-15(10)11;1-4-7-8-17(5-2,6-3)16(21)14-10-13(18)9-12-11-19-20-15(12)14;1-16(2,8-5-3-4-6-8)15(22)10-13(19)11(17)12(18)9-7-20-21-14(9)10;1-4-14(3,5-2)13(18)11-7-10(15)6-9-8-16-17-12(9)11/h4,8-11,17,23H,1-3,5-7H2,(H,21,22);8-9,11-12,17,22H,3-7,10H2,1-2H3,(H,20,21);8-9,16,23H,3-7H2,1-2H3,(H,21,22);1,9-11,16,21H,5-8H2,2-3H3,(H,19,20);7-8,15,22H,3-6H2,1-2H3,(H,20,21);6-8,13,18H,4-5H2,1-3H3,(H,16,17)
• InChIKey: JWFIXTHPBPUCRG-UHFFFAOYSA-N
• XLogP: 28.28
• TPSA: 293.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1898.89
LogP ≤ 5	28.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol?

The IUPAC name of 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol (CID 159042313) is 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol.

What is the SMILES notation for 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol?

The canonical SMILES for 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol is C#CCCC(CC)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCCC1)C(O)c1c(F)c(Cl)c(F)c2cn[nH]c12.CC(C)(C1CCCCC1)C(O)c1c(F)c(Cl)c(F)c2cn[nH]c12.CC(C)(CC1CCCCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(C)(CC)C(O)c1cc(Cl)cc2cn[nH]c12.OC(c1c(F)c(Cl)cc2cn[nH]c12)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol?

The InChIKey is JWFIXTHPBPUCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O.C18H25ClN2O.C17H21ClF2N2O.C17H21ClN2O.C16H19ClF2N2O.C14H19ClN2O/c19-13-4-12-8-21-22-16(12)14(15(13)20)17(23)18-5-9-1-10(6-18)3-11(2-9)7-18;1-18(2,10-12-6-4-3-5-7-12)17(22)15-9-14(19)8-13-11-20-21-16(13)15;1-17(2,9-6-4-3-5-7-9)16(23)11-14(20)12(18)13(19)10-8-21-22-15(10)11;1-4-7-8-17(5-2,6-3)16(21)14-10-13(18)9-12-11-19-20-15(12)14;1-16(2,8-5-3-4-6-8)15(22)10-13(19)11(17)12(18)9-7-20-21-14(9)10;1-4-14(3,5-2)13(18)11-7-10(15)6-9-8-16-17-12(9)11/h4,8-11,17,23H,1-3,5-7H2,(H,21,22);8-9,11-12,17,22H,3-7,10H2,1-2H3,(H,20,21);8-9,16,23H,3-7H2,1-2H3,(H,21,22);1,9-11,16,21H,5-8H2,2-3H3,(H,19,20);7-8,15,22H,3-6H2,1-2H3,(H,20,21);6-8,13,18H,4-5H2,1-3H3,(H,16,17).

What are the key properties of 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol?

1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol has a molecular weight of 1898.89 g/mol, XLogP of 28.28, 22 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclopentyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexyl-2,2-dimethylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-diethylhex-5-yn-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-ethyl-2-methylbutan-1-ol is sourced from PubChem (CID 159042313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).