1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol

C17H22ClN3O3S — CID 134373913

IUPAC1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol
SMILESCS(=O)(=O)N1CC2CCC(C1)C2CC(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C17H22ClN3O3S/c1-25(23,24)21-8-10-2-3-11(9-21)14(10)6-16(22)15-5-13(18)4-12-7-19-20-17(12)15/h4-5,7,10-11,14,16,22H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyCAHUQCQXOSMPFI-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.56
Rot. Bonds4

About 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol

1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol (PubChem CID 134373913) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol
PubChem CID134373913
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol
SMILESCS(=O)(=O)N1CC2CCC(C1)C2CC(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C17H22ClN3O3S/c1-25(23,24)21-8-10-2-3-11(9-21)14(10)6-16(22)15-5-13(18)4-12-7-19-20-17(12)15/h4-5,7,10-11,14,16,22H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyCAHUQCQXOSMPFI-UHFFFAOYSA-N
XLogP2.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol with MolForge

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Related Compounds

2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol
CID 159640731
(5-chloro-1H-indazol-7-yl)-cyclopentylmethanol
CID 134373345
5-chloro-7-propan-2-yl-1H-indazole
CID 166818723
(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
1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
CID 134373446
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 134373837
N-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-sulfonamide
CID 140857285
(5-chloro-1H-indazol-7-yl)-(3-fluoro-3-methylcyclobutyl)methanol
CID 161390872
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 134373971
(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 134373521
2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 139528534

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol?
The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol (CID 134373913) is 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol is CS(=O)(=O)N1CC2CCC(C1)C2CC(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol?
The InChIKey is CAHUQCQXOSMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-25(23,24)21-8-10-2-3-11(9-21)14(10)6-16(22)15-5-13(18)4-12-7-19-20-17(12)15/h4-5,7,10-11,14,16,22H,2-3,6,8-9H2,1H3,(H,19,20).
What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol?
1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol has a molecular weight of 383.90 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-7-yl)-2-(3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol is sourced from PubChem (CID 134373913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).