(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate

C19H15F3N2O4 — CID 8521107

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCc1ccc2nc(COC(=O)COc3cccc(C(F)(F)F)c3)cc(=O)n2c1
InChIInChI=1S/C19H15F3N2O4/c1-12-5-6-16-23-14(8-17(25)24(16)9-12)10-28-18(26)11-27-15-4-2-3-13(7-15)19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyNVSFOEXJHUOKEP-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.14
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate (PubChem CID 8521107) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate
PubChem CID8521107
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate
SMILESCc1ccc2nc(COC(=O)COc3cccc(C(F)(F)F)c3)cc(=O)n2c1
InChIInChI=1S/C19H15F3N2O4/c1-12-5-6-16-23-14(8-17(25)24(16)9-12)10-28-18(26)11-27-15-4-2-3-13(7-15)19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyNVSFOEXJHUOKEP-UHFFFAOYSA-N
XLogP3.14
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853383
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-phenylacetate
CID 7542151
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 46814547
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-1-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrazole-5-carboxylate
CID 43012346
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzotriazol-1-yl)acetate
CID 51190465
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 8848505
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 42915178
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3,4-dimethylphenyl)acetate
CID 7548236
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (3R)-3-cyclopropylbutanoate
CID 95234068
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-methylbenzoate
CID 7679547

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate (CID 8521107) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate is Cc1ccc2nc(COC(=O)COc3cccc(C(F)(F)F)c3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate?
The InChIKey is NVSFOEXJHUOKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-12-5-6-16-23-14(8-17(25)24(16)9-12)10-28-18(26)11-27-15-4-2-3-13(7-15)19(20,21)22/h2-9H,10-11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate has a molecular weight of 392.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 8521107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).