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

C19H16F2N2O4 — CID 45352578

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccc(OC(F)F)cc3)cc(=O)n2c1
InChIInChI=1S/C19H16F2N2O4/c1-12-2-7-16-22-14(9-17(24)23(16)10-12)11-26-18(25)8-13-3-5-15(6-4-13)27-19(20)21/h2-7,9-10,19H,8,11H2,1H3
InChIKeyVAKTVYOKKCOZNO-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.89
Rot. Bonds6

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 45352578) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID45352578
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccc(OC(F)F)cc3)cc(=O)n2c1
InChIInChI=1S/C19H16F2N2O4/c1-12-2-7-16-22-14(9-17(24)23(16)10-12)11-26-18(25)8-13-3-5-15(6-4-13)27-19(20)21/h2-7,9-10,19H,8,11H2,1H3
InChIKeyVAKTVYOKKCOZNO-UHFFFAOYSA-N
XLogP2.89
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate (CID 45352578) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate is Cc1ccc2nc(COC(=O)Cc3ccc(OC(F)F)cc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is VAKTVYOKKCOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-12-2-7-16-22-14(9-17(24)23(16)10-12)11-26-18(25)8-13-3-5-15(6-4-13)27-19(20)21/h2-7,9-10,19H,8,11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 374.34 g/mol, XLogP of 2.89, 6 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-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 45352578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).