(1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane

C19H20F3N3O — CID 58479345

IUPAC(1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C19H20F3N3O/c1-12-2-7-18(24-10-12)26-16-8-14-4-5-15(9-16)25(14)17-6-3-13(11-23-17)19(20,21)22/h2-3,6-7,10-11,14-16H,4-5,8-9H2,1H3/t14-,15+,16?
InChIKeyJQOYFFUCXGQYLO-XYPWUTKMSA-N
MW363.38 g/mol
LogP4.38
Rot. Bonds3

About (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane

(1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane (PubChem CID 58479345) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane
PubChem CID58479345
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C19H20F3N3O/c1-12-2-7-18(24-10-12)26-16-8-14-4-5-15(9-16)25(14)17-6-3-13(11-23-17)19(20,21)22/h2-3,6-7,10-11,14-16H,4-5,8-9H2,1H3/t14-,15+,16?
InChIKeyJQOYFFUCXGQYLO-XYPWUTKMSA-N
XLogP4.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane 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,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane (CID 58479345) is (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane is Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is JQOYFFUCXGQYLO-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-12-2-7-18(24-10-12)26-16-8-14-4-5-15(9-16)25(14)17-6-3-13(11-23-17)19(20,21)22/h2-3,6-7,10-11,14-16H,4-5,8-9H2,1H3/t14-,15+,16?.
What are the key properties of (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 363.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[(5-methyl-2-pyridinyl)oxy]-8-[5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58479345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).