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

C19H15F3N2O3 — CID 78788567

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1ccc2nc(COC(=O)Cc3cccc(C(F)(F)F)c3)cc(=O)n2c1
InChIInChI=1S/C19H15F3N2O3/c1-12-5-6-16-23-15(9-17(25)24(16)10-12)11-27-18(26)8-13-3-2-4-14(7-13)19(20,21)22/h2-7,9-10H,8,11H2,1H3
InChIKeyZWQKNXRBYKGFTN-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.31
Rot. Bonds4

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 78788567) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID78788567
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESCc1ccc2nc(COC(=O)Cc3cccc(C(F)(F)F)c3)cc(=O)n2c1
InChIInChI=1S/C19H15F3N2O3/c1-12-5-6-16-23-15(9-17(25)24(16)10-12)11-27-18(26)8-13-3-2-4-14(7-13)19(20,21)22/h2-7,9-10H,8,11H2,1H3
InChIKeyZWQKNXRBYKGFTN-UHFFFAOYSA-N
XLogP3.31
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate (CID 78788567) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate is Cc1ccc2nc(COC(=O)Cc3cccc(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)phenyl]acetate?
The InChIKey is ZWQKNXRBYKGFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-12-5-6-16-23-15(9-17(25)24(16)10-12)11-27-18(26)8-13-3-2-4-14(7-13)19(20,21)22/h2-7,9-10H,8,11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 376.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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)phenyl]acetate is sourced from PubChem (CID 78788567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).