4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C17H23N3O — CID 105365768

IUPAC4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCCn1nc(CC2(O)CCN3CCC2C3)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-16-6-4-3-5-14(16)15(18-20)11-17(21)8-10-19-9-7-13(17)12-19/h3-6,13,21H,2,7-12H2,1H3
InChIKeyMWKZVKBDXGPZCU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.06
Rot. Bonds3

About 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365768) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365768
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESCCn1nc(CC2(O)CCN3CCC2C3)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-2-20-16-6-4-3-5-14(16)15(18-20)11-17(21)8-10-19-9-7-13(17)12-19/h3-6,13,21H,2,7-12H2,1H3
InChIKeyMWKZVKBDXGPZCU-UHFFFAOYSA-N
XLogP2.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105365768) is 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is CCn1nc(CC2(O)CCN3CCC2C3)c2ccccc21.
What is the InChIKey of 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is MWKZVKBDXGPZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20-16-6-4-3-5-14(16)15(18-20)11-17(21)8-10-19-9-7-13(17)12-19/h3-6,13,21H,2,7-12H2,1H3.
What are the key properties of 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 285.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindazol-3-yl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).