(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one

C20H24F3N5O2 — CID 92567739

IUPAC(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)17-11-15(26-19-24-12-25-28(17)19)13-7-9-27(10-8-13)18(30)6-5-14-3-1-2-4-16(14)29/h11-14H,1-10H2/t14-/m1/s1
InChIKeyWZLMVWKLBJXGHX-CQSZACIVSA-N
MW423.44 g/mol
LogP3.39
Rot. Bonds4

About (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one

(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one (PubChem CID 92567739) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one
PubChem CID92567739
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one
SMILESO=C1CCCC[C@@H]1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)17-11-15(26-19-24-12-25-28(17)19)13-7-9-27(10-8-13)18(30)6-5-14-3-1-2-4-16(14)29/h11-14H,1-10H2/t14-/m1/s1
InChIKeyWZLMVWKLBJXGHX-CQSZACIVSA-N
XLogP3.39
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one (CID 92567739) is (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one is O=C1CCCC[C@@H]1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1.
What is the InChIKey of (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one?
The InChIKey is WZLMVWKLBJXGHX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c21-20(22,23)17-11-15(26-19-24-12-25-28(17)19)13-7-9-27(10-8-13)18(30)6-5-14-3-1-2-4-16(14)29/h11-14H,1-10H2/t14-/m1/s1.
What are the key properties of (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one?
(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one has a molecular weight of 423.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one is sourced from PubChem (CID 92567739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).