6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C23H20N2O2 — CID 58255566

IUPAC6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(C(O)(c3ccccc3)c3ccncc3)cc3c2N1CC3
InChIInChI=1S/C23H20N2O2/c26-21-7-6-16-14-20(15-17-10-13-25(21)22(16)17)23(27,18-4-2-1-3-5-18)19-8-11-24-12-9-19/h1-5,8-9,11-12,14-15,27H,6-7,10,13H2
InChIKeyDORBQYJIKXWGNW-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.20
Rot. Bonds3

About 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 58255566) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID58255566
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(C(O)(c3ccccc3)c3ccncc3)cc3c2N1CC3
InChIInChI=1S/C23H20N2O2/c26-21-7-6-16-14-20(15-17-10-13-25(21)22(16)17)23(27,18-4-2-1-3-5-18)19-8-11-24-12-9-19/h1-5,8-9,11-12,14-15,27H,6-7,10,13H2
InChIKeyDORBQYJIKXWGNW-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 58255566) is 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is O=C1CCc2cc(C(O)(c3ccccc3)c3ccncc3)cc3c2N1CC3.
What is the InChIKey of 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is DORBQYJIKXWGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-21-7-6-16-14-20(15-17-10-13-25(21)22(16)17)23(27,18-4-2-1-3-5-18)19-8-11-24-12-9-19/h1-5,8-9,11-12,14-15,27H,6-7,10,13H2.
What are the key properties of 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 356.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxy-phenyl-pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 58255566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).