(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol

C67H83Cl4F4N9O7S2 — CID 157446162

About (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol

(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol (PubChem CID 157446162) has the molecular formula C67H83Cl4F4N9O7S2 and a molecular weight of 1408.39 g/mol. Its IUPAC name is (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol.

Molecular Properties

• Compound Name: (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol
• PubChem CID: 157446162
• Molecular Formula: C67H83Cl4F4N9O7S2
• Molecular Weight: 1408.39 g/mol
• Exact Mass: 1405.45
• IUPAC Name: (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol
• SMILES: C=S1(=O)CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.C=S1(=O)CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC12CCC(C(O)c3c(F)c(Cl)cc4cn[nH]c34)(CC1)CC2
• InChI: InChI=1S/C17H22ClFN2O2S.C17H20ClFN2O.C17H23ClN2O2S.C16H18ClF2N3O2/c1-17(2,11-4-6-24(3,23)7-5-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-16-2-5-17(6-3-16,7-4-16)15(22)12-13(19)11(18)8-10-9-20-21-14(10)12;1-17(2,12-4-6-23(3,22)7-5-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-9(23)22-4-2-11(3-5-22)16(18,19)15(24)13-7-12(17)6-10-8-20-21-14(10)13/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);8-9,15,22H,2-7H2,1H3,(H,20,21);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-8,11,15,24H,2-5H2,1H3,(H,20,21)
• InChIKey: BSGBAHCJIKZQFZ-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 250.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1408.39
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	8
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 (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol?

The IUPAC name of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol (CID 157446162) is (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol.

What is the SMILES notation for (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol?

The canonical SMILES for (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol is C=S1(=O)CCC(C(C)(C)C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.C=S1(=O)CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC12CCC(C(O)c3c(F)c(Cl)cc4cn[nH]c34)(CC1)CC2.

What is the InChIKey of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol?

The InChIKey is BSGBAHCJIKZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2S.C17H20ClFN2O.C17H23ClN2O2S.C16H18ClF2N3O2/c1-17(2,11-4-6-24(3,23)7-5-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-16-2-5-17(6-3-16,7-4-16)15(22)12-13(19)11(18)8-10-9-20-21-14(10)12;1-17(2,12-4-6-23(3,22)7-5-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-9(23)22-4-2-11(3-5-22)16(18,19)15(24)13-7-12(17)6-10-8-20-21-14(10)13/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);8-9,15,22H,2-7H2,1H3,(H,20,21);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-8,11,15,24H,2-5H2,1H3,(H,20,21).

What are the key properties of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol?

(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol has a molecular weight of 1408.39 g/mol, XLogP of 14.84, 11 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol is sourced from PubChem (CID 157446162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).