(1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane

C17H24F3N3O — CID 72939591

IUPAC(1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc(C)n1)C2
InChIInChI=1S/C17H24F3N3O/c1-12-7-14(17(18,19)20)8-16(21-12)23-10-13-3-4-15(11-23)22(9-13)5-6-24-2/h7-8,13,15H,3-6,9-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyHLPQYXCAQKCPOP-UKRRQHHQSA-N
MW343.39 g/mol
LogP2.96
Rot. Bonds4

About (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane

(1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 72939591) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
PubChem CID72939591
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC Name(1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc(C)n1)C2
InChIInChI=1S/C17H24F3N3O/c1-12-7-14(17(18,19)20)8-16(21-12)23-10-13-3-4-15(11-23)22(9-13)5-6-24-2/h7-8,13,15H,3-6,9-11H2,1-2H3/t13-,15-/m1/s1
InChIKeyHLPQYXCAQKCPOP-UKRRQHHQSA-N
XLogP2.96
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane 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 (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane (CID 72939591) is (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane is COCCN1C[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc(C)n1)C2.
What is the InChIKey of (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is HLPQYXCAQKCPOP-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12-7-14(17(18,19)20)8-16(21-12)23-10-13-3-4-15(11-23)22(9-13)5-6-24-2/h7-8,13,15H,3-6,9-11H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
(1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 343.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(2-methoxyethyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 72939591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).