1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol

C76H90Cl3FN10O6S — CID 158086349

About 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol

1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol (PubChem CID 158086349) has the molecular formula C76H90Cl3FN10O6S and a molecular weight of 1397.04 g/mol. Its IUPAC name is 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol.

Molecular Properties

• Compound Name: 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol
• PubChem CID: 158086349
• Molecular Formula: C76H90Cl3FN10O6S
• Molecular Weight: 1397.04 g/mol
• Exact Mass: 1394.58
• IUPAC Name: 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol
• SMILES: C=S(C)(=O)CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.CC1(C(O)c2cc(F)cc3cn[nH]c23)CCCCC1.Cc1ccc2cn[nH]c2c1C(O)C12CC3CC(CC(C3)C1)C2.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1
• InChI: InChI=1S/C19H24N2O.C15H19FN2O.C14H17ClN2O2S.2C14H15ClN2O/c1-11-2-3-15-10-20-21-17(15)16(11)18(22)19-7-12-4-13(8-19)6-14(5-12)9-19;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-20(2,19)8-9-5-14(18,6-9)12-4-11(15)3-10-7-16-17-13(10)12;2*15-10-4-9-6-16-17-12(9)11(5-10)14(18)7-13(8-14)2-1-3-13/h2-3,10,12-14,18,22H,4-9H2,1H3,(H,20,21);7-9,14,19H,2-6H2,1H3,(H,17,18);3-4,7,9,18H,1,5-6,8H2,2H3,(H,16,17);2*4-6,18H,1-3,7-8H2,(H,16,17)
• InChIKey: FNOINGXPAYSRBQ-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 261.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1397.04
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?

The IUPAC name of 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol (CID 158086349) is 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol.

What is the SMILES notation for 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?

The canonical SMILES for 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol is C=S(C)(=O)CC1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.CC1(C(O)c2cc(F)cc3cn[nH]c23)CCCCC1.Cc1ccc2cn[nH]c2c1C(O)C12CC3CC(CC(C3)C1)C2.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1.

What is the InChIKey of 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?

The InChIKey is FNOINGXPAYSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C15H19FN2O.C14H17ClN2O2S.2C14H15ClN2O/c1-11-2-3-15-10-20-21-17(15)16(11)18(22)19-7-12-4-13(8-19)6-14(5-12)9-19;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;1-20(2,19)8-9-5-14(18,6-9)12-4-11(15)3-10-7-16-17-13(10)12;2*15-10-4-9-6-16-17-12(9)11(5-10)14(18)7-13(8-14)2-1-3-13/h2-3,10,12-14,18,22H,4-9H2,1H3,(H,20,21);7-9,14,19H,2-6H2,1H3,(H,17,18);3-4,7,9,18H,1,5-6,8H2,2H3,(H,16,17);2*4-6,18H,1-3,7-8H2,(H,16,17).

What are the key properties of 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?

1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol has a molecular weight of 1397.04 g/mol, XLogP of 16.72, 9 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 158086349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).