1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol

C76H86Cl5FN12O7S2 — CID 159674463

About 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol

1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol (PubChem CID 159674463) has the molecular formula C76H86Cl5FN12O7S2 and a molecular weight of 1540.00 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

• Compound Name: 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol
• PubChem CID: 159674463
• Molecular Formula: C76H86Cl5FN12O7S2
• Molecular Weight: 1540.00 g/mol
• Exact Mass: 1536.46
• IUPAC Name: 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol
• SMILES: C=S(C)(=O)N1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.C=S(C)(=O)N1CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(Cc1ccccc1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(c1ccccc1)C(O)c1cc(Cl)cc2cn[nH]c12.CC1(F)CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1
• InChI: InChI=1S/C18H19ClN2O.C17H17ClN2O.C15H18ClFN2O.C14H18ClN3O2S.C12H14ClN3O2S/c1-18(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(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-15(17)4-2-9(3-5-15)14(20)12-7-11(16)6-10-8-18-19-13(10)12;1-21(2,20)18-5-3-14(19,4-6-18)12-8-11(15)7-10-9-16-17-13(10)12;1-19(2,18)16-6-12(17,7-16)10-4-9(13)3-8-5-14-15-11(8)10/h3-9,11,17,22H,10H2,1-2H3,(H,20,21);3-10,16,21H,1-2H3,(H,19,20);6-9,14,20H,2-5H2,1H3,(H,18,19);7-9,19H,1,3-6H2,2H3,(H,16,17);3-5,17H,1,6-7H2,2H3,(H,14,15)
• InChIKey: MUKMUNUYUQYFSQ-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 285.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1540.00
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol?

The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol (CID 159674463) is 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol.

What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol?

The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol is C=S(C)(=O)N1CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.C=S(C)(=O)N1CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(Cc1ccccc1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(c1ccccc1)C(O)c1cc(Cl)cc2cn[nH]c12.CC1(F)CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.

What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol?

The InChIKey is MUKMUNUYUQYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O.C17H17ClN2O.C15H18ClFN2O.C14H18ClN3O2S.C12H14ClN3O2S/c1-18(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(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-15(17)4-2-9(3-5-15)14(20)12-7-11(16)6-10-8-18-19-13(10)12;1-21(2,20)18-5-3-14(19,4-6-18)12-8-11(15)7-10-9-16-17-13(10)12;1-19(2,18)16-6-12(17,7-16)10-4-9(13)3-8-5-14-15-11(8)10/h3-9,11,17,22H,10H2,1-2H3,(H,20,21);3-10,16,21H,1-2H3,(H,19,20);6-9,14,20H,2-5H2,1H3,(H,18,19);7-9,19H,1,3-6H2,2H3,(H,16,17);3-5,17H,1,6-7H2,2H3,(H,14,15).

What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol?

1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol has a molecular weight of 1540.00 g/mol, XLogP of 15.66, 13 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-phenylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(4-fluoro-4-methylcyclohexyl)methanol;3-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)azetidin-3-ol;4-(5-chloro-1H-indazol-7-yl)-1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 159674463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).