[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C21H18F3N5O2 — CID 86270750

IUPAC[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)15-5-3-7-25-19(15)31-18-11-13-10-17(18)28(12-13)20(30)14-4-1-2-6-16(14)29-26-8-9-27-29/h1-9,13,17-18H,10-12H2
InChIKeyXPOSFFXHDZGZMB-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.36
Rot. Bonds4

About [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 86270750) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID86270750
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)15-5-3-7-25-19(15)31-18-11-13-10-17(18)28(12-13)20(30)14-4-1-2-6-16(14)29-26-8-9-27-29/h1-9,13,17-18H,10-12H2
InChIKeyXPOSFFXHDZGZMB-UHFFFAOYSA-N
XLogP3.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone 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 [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 86270750) is [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is O=C(c1ccccc1-n1nccn1)N1CC2CC(Oc3ncccc3C(F)(F)F)C1C2.
What is the InChIKey of [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is XPOSFFXHDZGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c22-21(23,24)15-5-3-7-25-19(15)31-18-11-13-10-17(18)28(12-13)20(30)14-4-1-2-6-16(14)29-26-8-9-27-29/h1-9,13,17-18H,10-12H2.
What are the key properties of [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 429.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(triazol-2-yl)phenyl]-[6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 86270750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).