(3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C21H23F3N4O3 — CID 118939790

IUPAC(3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C(C)C2CC(Oc3cnc(C(F)(F)F)cn3)C1C2
InChIInChI=1S/C21H23F3N4O3/c1-4-30-15-6-5-11(2)27-19(15)20(29)28-12(3)13-7-14(28)16(8-13)31-18-10-25-17(9-26-18)21(22,23)24/h5-6,9-10,12-14,16H,4,7-8H2,1-3H3
InChIKeyWRSBKRHFWWRSIJ-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.67
Rot. Bonds5

About (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118939790) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID118939790
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name(3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C(C)C2CC(Oc3cnc(C(F)(F)F)cn3)C1C2
InChIInChI=1S/C21H23F3N4O3/c1-4-30-15-6-5-11(2)27-19(15)20(29)28-12(3)13-7-14(28)16(8-13)31-18-10-25-17(9-26-18)21(22,23)24/h5-6,9-10,12-14,16H,4,7-8H2,1-3H3
InChIKeyWRSBKRHFWWRSIJ-UHFFFAOYSA-N
XLogP3.67
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]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 (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118939790) is (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone is CCOc1ccc(C)nc1C(=O)N1C(C)C2CC(Oc3cnc(C(F)(F)F)cn3)C1C2.
What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is WRSBKRHFWWRSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-4-30-15-6-5-11(2)27-19(15)20(29)28-12(3)13-7-14(28)16(8-13)31-18-10-25-17(9-26-18)21(22,23)24/h5-6,9-10,12-14,16H,4,7-8H2,1-3H3.
What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 436.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-methyl-2-pyridinyl)-[3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118939790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).