[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone

C23H23N5O2 — CID 145041017

IUPAC[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(OC2CC34CC3C(C)N(C(=O)c3ccccc3-n3nccn3)C24)nc1
InChIInChI=1S/C23H23N5O2/c1-14-7-8-20(24-13-14)30-19-12-23-11-17(23)15(2)27(21(19)23)22(29)16-5-3-4-6-18(16)28-25-9-10-26-28/h3-10,13,15,17,19,21H,11-12H2,1-2H3
InChIKeyCTYRUZYJDQNMBQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.04
Rot. Bonds4

About [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone

[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 145041017) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID145041017
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(OC2CC34CC3C(C)N(C(=O)c3ccccc3-n3nccn3)C24)nc1
InChIInChI=1S/C23H23N5O2/c1-14-7-8-20(24-13-14)30-19-12-23-11-17(23)15(2)27(21(19)23)22(29)16-5-3-4-6-18(16)28-25-9-10-26-28/h3-10,13,15,17,19,21H,11-12H2,1-2H3
InChIKeyCTYRUZYJDQNMBQ-UHFFFAOYSA-N
XLogP3.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(fluoromethyl)-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
CID 154040288
[(1S,3S,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939618
[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939692
[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71526142
[(1S,6R)-3-(2-methylpropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118951518
[3-methyl-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridazin-3-ylphenyl)methanone
CID 118940650
[3-fluoro-2-(triazol-2-yl)phenyl]-[(1S,4S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702375
[(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 122184044
[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145041045
[7-[(5-bromo-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123380852
[2-(triazol-2-yl)phenyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90413676
[(6S)-3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 126762666

Frequently Asked Questions

What is the IUPAC name of [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 145041017) is [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1ccc(OC2CC34CC3C(C)N(C(=O)c3ccccc3-n3nccn3)C24)nc1.
What is the InChIKey of [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is CTYRUZYJDQNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-7-8-20(24-13-14)30-19-12-23-11-17(23)15(2)27(21(19)23)22(29)16-5-3-4-6-18(16)28-25-9-10-26-28/h3-10,13,15,17,19,21H,11-12H2,1-2H3.
What are the key properties of [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone?
[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 401.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 145041017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).