[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

C24H21F4N5O2 — CID 154040288

IUPAC[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
SMILESCc1cccc(-n2nccn2)c1C(=O)N1C(CF)C2CC23CC(Oc2ccc(C(F)(F)F)cn2)C13
InChIInChI=1S/C24H21F4N5O2/c1-13-3-2-4-16(33-30-7-8-31-33)20(13)22(34)32-17(11-25)15-9-23(15)10-18(21(23)32)35-19-6-5-14(12-29-19)24(26,27)28/h2-8,12,15,17-18,21H,9-11H2,1H3
InChIKeyNEFSWVSMPFCRMN-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.01
Rot. Bonds5

About [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

[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 (PubChem CID 154040288) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID154040288
Molecular FormulaC24H21F4N5O2
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name[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
SMILESCc1cccc(-n2nccn2)c1C(=O)N1C(CF)C2CC23CC(Oc2ccc(C(F)(F)F)cn2)C13
InChIInChI=1S/C24H21F4N5O2/c1-13-3-2-4-16(33-30-7-8-31-33)20(13)22(34)32-17(11-25)15-9-23(15)10-18(21(23)32)35-19-6-5-14(12-29-19)24(26,27)28/h2-8,12,15,17-18,21H,9-11H2,1H3
InChIKeyNEFSWVSMPFCRMN-UHFFFAOYSA-N
XLogP4.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

[2-fluoro-6-(triazol-2-yl)phenyl]-[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939827
[2-fluoro-6-(triazol-2-yl)phenyl]-[3-(hydroxymethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118940716
[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
[(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
[(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
[2-(triazol-2-yl)phenyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90413676
[(1S,3S,4R,6S)-3-(fluoromethyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(3-methyl-2-pyridin-2-ylphenyl)methanone
CID 140706404
[(1S,6R)-3-(2-methylpropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118951682
[(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
[(1S,3R,4R,6R)-3-ethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 118939828
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 175952233
[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414265

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cccc(-n2nccn2)c1C(=O)N1C(CF)C2CC23CC(Oc2ccc(C(F)(F)F)cn2)C13.
What is the InChIKey of [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?
The InChIKey is NEFSWVSMPFCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-13-3-2-4-16(33-30-7-8-31-33)20(13)22(34)32-17(11-25)15-9-23(15)10-18(21(23)32)35-19-6-5-14(12-29-19)24(26,27)28/h2-8,12,15,17-18,21H,9-11H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 487.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 154040288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).