2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid

C18H24F3N3O2 — CID 156550005

IUPAC2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid
SMILESO=C(O)CC1CCCC(c2cc(C(F)(F)F)nc(N3CCC3)n2)CCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)15-11-14(22-17(23-15)24-8-3-9-24)13-6-1-4-12(5-2-7-13)10-16(25)26/h11-13H,1-10H2,(H,25,26)
InChIKeyBMOVGABBEQGVJU-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.23
Rot. Bonds4

About 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid

2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid (PubChem CID 156550005) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid
PubChem CID156550005
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid
SMILESO=C(O)CC1CCCC(c2cc(C(F)(F)F)nc(N3CCC3)n2)CCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)15-11-14(22-17(23-15)24-8-3-9-24)13-6-1-4-12(5-2-7-13)10-16(25)26/h11-13H,1-10H2,(H,25,26)
InChIKeyBMOVGABBEQGVJU-UHFFFAOYSA-N
XLogP4.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid 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

2-[3-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 142773171
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
(3S,6R)-6-amino-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]azepane-3-carboxylic acid;dihydrochloride
CID 171339761
2-[1-[4-(6-cyclobutyl-2-pyridinyl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121447437
2-(1-pyrimidin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879902
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
[4-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 166719469
2-hydroxy-1-[(3R)-3-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 124950305
(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 26872050
2-[1-[3-fluoro-5-(trifluoromethyl)benzoyl]azepan-4-yl]acetic acid
CID 120949981
(3S)-1-[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-amine
CID 125441360

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid?
The IUPAC name of 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid (CID 156550005) is 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid.
What is the SMILES notation for 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid?
The canonical SMILES for 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid is O=C(O)CC1CCCC(c2cc(C(F)(F)F)nc(N3CCC3)n2)CCC1.
What is the InChIKey of 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid?
The InChIKey is BMOVGABBEQGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)15-11-14(22-17(23-15)24-8-3-9-24)13-6-1-4-12(5-2-7-13)10-16(25)26/h11-13H,1-10H2,(H,25,26).
What are the key properties of 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid?
2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid has a molecular weight of 371.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid is sourced from PubChem (CID 156550005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).