2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol

C17H21ClN2O — CID 159640731

IUPAC2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol
SMILESOC(CC1C2CCCC1CC2)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C17H21ClN2O/c18-13-6-12-9-19-20-17(12)15(7-13)16(21)8-14-10-2-1-3-11(14)5-4-10/h6-7,9-11,14,16,21H,1-5,8H2,(H,19,20)
InChIKeyFYWVYADAOCNBTF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.47
Rot. Bonds3

About 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol

2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol (PubChem CID 159640731) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol.

Molecular Properties

Compound Name2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol
PubChem CID159640731
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol
SMILESOC(CC1C2CCCC1CC2)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C17H21ClN2O/c18-13-6-12-9-19-20-17(12)15(7-13)16(21)8-14-10-2-1-3-11(14)5-4-10/h6-7,9-11,14,16,21H,1-5,8H2,(H,19,20)
InChIKeyFYWVYADAOCNBTF-UHFFFAOYSA-N
XLogP4.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol with MolForge

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Related Compounds

1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol
CID 134373913
(5-chloro-1H-indazol-7-yl)-cyclopentylmethanol
CID 134373345
(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol
CID 134373518
1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
CID 134410251
5-chloro-7-propan-2-yl-1H-indazole
CID 166818723
(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 134373521
(5-chloro-1H-indazol-7-yl)-(3-fluoro-3-methylcyclobutyl)methanol
CID 161390872
1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
CID 134373446
1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol
CID 121326010
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 134373837
(5-chloro-1H-indazol-7-yl)-pyridin-3-ylmethanol
CID 134373342
1-[(1R)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]cycloheptyl]-1-fluorourea
CID 142311993

Frequently Asked Questions

What is the IUPAC name of 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol?
The IUPAC name of 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol (CID 159640731) is 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol.
What is the SMILES notation for 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol?
The canonical SMILES for 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol is OC(CC1C2CCCC1CC2)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol?
The InChIKey is FYWVYADAOCNBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-13-6-12-9-19-20-17(12)15(7-13)16(21)8-14-10-2-1-3-11(14)5-4-10/h6-7,9-11,14,16,21H,1-5,8H2,(H,19,20).
What are the key properties of 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol?
2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol has a molecular weight of 304.82 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol is sourced from PubChem (CID 159640731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).