(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate

C19H17FN2O3 — CID 166202772

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
SMILESCc1ccc2nc(COC(=O)C(F)Cc3ccccc3)cc(=O)n2c1
InChIInChI=1S/C19H17FN2O3/c1-13-7-8-17-21-15(10-18(23)22(17)11-13)12-25-19(24)16(20)9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3
InChIKeyGWGLVEBWOKQIMQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.63
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate (PubChem CID 166202772) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
PubChem CID166202772
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
SMILESCc1ccc2nc(COC(=O)C(F)Cc3ccccc3)cc(=O)n2c1
InChIInChI=1S/C19H17FN2O3/c1-13-7-8-17-21-15(10-18(23)22(17)11-13)12-25-19(24)16(20)9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3
InChIKeyGWGLVEBWOKQIMQ-UHFFFAOYSA-N
XLogP2.63
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-phenylpropanoate
CID 166333269
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzylbutanoate
CID 166203540
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(2-phenylethyl)butanoate
CID 166185848
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoate
CID 166333328
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 166333304
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166333303
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[3-(2-methylpropyl)phenyl]propanoate
CID 166333306
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7542894
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzamido-3-hydroxypropanoate
CID 166186197
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1H-indole-2-carboxylate
CID 7681418
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methoxymethyl)benzoate
CID 7680253
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate (CID 166202772) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate is Cc1ccc2nc(COC(=O)C(F)Cc3ccccc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate?
The InChIKey is GWGLVEBWOKQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-13-7-8-17-21-15(10-18(23)22(17)11-13)12-25-19(24)16(20)9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate has a molecular weight of 340.35 g/mol, XLogP of 2.63, 5 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-fluoro-3-phenylpropanoate is sourced from PubChem (CID 166202772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).