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

C21H20N4O4 — CID 51280600

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
SMILESCCn1c(=O)n(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c2ccccc21
InChIInChI=1S/C21H20N4O4/c1-3-23-16-6-4-5-7-17(16)24(21(23)28)12-20(27)29-13-15-10-19(26)25-11-14(2)8-9-18(25)22-15/h4-11H,3,12-13H2,1-2H3
InChIKeyJYGYOJCIUHOXOL-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.88
Rot. Bonds5

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate (PubChem CID 51280600) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
PubChem CID51280600
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
SMILESCCn1c(=O)n(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c2ccccc21
InChIInChI=1S/C21H20N4O4/c1-3-23-16-6-4-5-7-17(16)24(21(23)28)12-20(27)29-13-15-10-19(26)25-11-14(2)8-9-18(25)22-15/h4-11H,3,12-13H2,1-2H3
InChIKeyJYGYOJCIUHOXOL-UHFFFAOYSA-N
XLogP1.88
TPSA87.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate with MolForge

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Related Compounds

(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 2-phenylacetate
CID 7542151
(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 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7537166
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-phenylpropanoate
CID 166333269
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612587
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 8521234
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-fluoro-3-phenylpropanoate
CID 166202772
(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

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate (CID 51280600) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate is CCn1c(=O)n(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)c2ccccc21.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
The InChIKey is JYGYOJCIUHOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-3-23-16-6-4-5-7-17(16)24(21(23)28)12-20(27)29-13-15-10-19(26)25-11-14(2)8-9-18(25)22-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate has a molecular weight of 392.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-ethyl-2-oxobenzimidazol-1-yl)acetate is sourced from PubChem (CID 51280600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).