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

C19H16N6O3 — CID 55632496

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccc(-n4cnnn4)cc3)cc(=O)n2c1
InChIInChI=1S/C19H16N6O3/c1-13-2-7-17-21-15(9-18(26)24(17)10-13)11-28-19(27)8-14-3-5-16(6-4-14)25-12-20-22-23-25/h2-7,9-10,12H,8,11H2,1H3
InChIKeyLIRRGZSGMNUFBB-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.26
Rot. Bonds5

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

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate (PubChem CID 55632496) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate
PubChem CID55632496
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate
SMILESCc1ccc2nc(COC(=O)Cc3ccc(-n4cnnn4)cc3)cc(=O)n2c1
InChIInChI=1S/C19H16N6O3/c1-13-2-7-17-21-15(9-18(26)24(17)10-13)11-28-19(27)8-14-3-5-16(6-4-14)25-12-20-22-23-25/h2-7,9-10,12H,8,11H2,1H3
InChIKeyLIRRGZSGMNUFBB-UHFFFAOYSA-N
XLogP1.26
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate with MolForge

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Related Compounds

(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-(3,4-dimethylphenyl)acetate
CID 7548236
(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 2-(benzotriazol-1-yl)acetate
CID 51190465
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 8011323
(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 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7537166
(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 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706669
(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

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate (CID 55632496) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate is Cc1ccc2nc(COC(=O)Cc3ccc(-n4cnnn4)cc3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
The InChIKey is LIRRGZSGMNUFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-13-2-7-17-21-15(9-18(26)24(17)10-13)11-28-19(27)8-14-3-5-16(6-4-14)25-12-20-22-23-25/h2-7,9-10,12H,8,11H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[4-(tetrazol-1-yl)phenyl]acetate has a molecular weight of 376.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 9 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-(tetrazol-1-yl)phenyl]acetate is sourced from PubChem (CID 55632496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).