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

C18H14F2N2O4 — CID 7542288

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate
SMILESCc1ccc2nc(COC(=O)c3cccc(OC(F)F)c3)cc(=O)n2c1
InChIInChI=1S/C18H14F2N2O4/c1-11-5-6-15-21-13(8-16(23)22(15)9-11)10-25-17(24)12-3-2-4-14(7-12)26-18(19)20/h2-9,18H,10H2,1H3
InChIKeyGYZGXAPLCQVKKQ-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.96
Rot. Bonds5

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate (PubChem CID 7542288) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate
PubChem CID7542288
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate
SMILESCc1ccc2nc(COC(=O)c3cccc(OC(F)F)c3)cc(=O)n2c1
InChIInChI=1S/C18H14F2N2O4/c1-11-5-6-15-21-13(8-16(23)22(15)9-11)10-25-17(24)12-3-2-4-14(7-12)26-18(19)20/h2-9,18H,10H2,1H3
InChIKeyGYZGXAPLCQVKKQ-UHFFFAOYSA-N
XLogP2.96
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate (CID 7542288) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate is Cc1ccc2nc(COC(=O)c3cccc(OC(F)F)c3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate?
The InChIKey is GYZGXAPLCQVKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-11-5-6-15-21-13(8-16(23)22(15)9-11)10-25-17(24)12-3-2-4-14(7-12)26-18(19)20/h2-9,18H,10H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(difluoromethoxy)benzoate has a molecular weight of 360.32 g/mol, XLogP of 2.96, 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 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 7542288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).