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

C21H19F3N6O2 — CID 118939636

IUPAC[3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCC1C2CC(Oc3ccc(C(F)(F)F)nc3)C(C2)N1C(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C21H19F3N6O2/c1-12-13-9-16(17(10-13)32-14-4-5-18(26-11-14)21(22,23)24)29(12)20(31)19-15(3-2-6-25-19)30-27-7-8-28-30/h2-8,11-13,16-17H,9-10H2,1H3
InChIKeyVWTGTRGGHHUOBF-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.15
Rot. Bonds4

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

[3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 118939636) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID118939636
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC Name[3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCC1C2CC(Oc3ccc(C(F)(F)F)nc3)C(C2)N1C(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C21H19F3N6O2/c1-12-13-9-16(17(10-13)32-14-4-5-18(26-11-14)21(22,23)24)29(12)20(31)19-15(3-2-6-25-19)30-27-7-8-28-30/h2-8,11-13,16-17H,9-10H2,1H3
InChIKeyVWTGTRGGHHUOBF-UHFFFAOYSA-N
XLogP3.15
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(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
[(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
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R,3S,4S,6S)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939758
[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
[3-methyl-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939614
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118940654
[3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118940607
[5-fluoro-2-(triazol-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939701
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(3S,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118951302
[(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
tert-butyl 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118939893
[(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

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (CID 118939636) is [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is CC1C2CC(Oc3ccc(C(F)(F)F)nc3)C(C2)N1C(=O)c1ncccc1-n1nccn1.
What is the InChIKey of [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is VWTGTRGGHHUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-12-13-9-16(17(10-13)32-14-4-5-18(26-11-14)21(22,23)24)29(12)20(31)19-15(3-2-6-25-19)30-27-7-8-28-30/h2-8,11-13,16-17H,9-10H2,1H3.
What are the key properties of [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
[3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 444.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 118939636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).