(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate

C13H8N2O3S — CID 10540095

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate
SMILESO=C(Oc1cc(=O)n2ccccc2n1)c1cccs1
InChIInChI=1S/C13H8N2O3S/c16-12-8-11(14-10-5-1-2-6-15(10)12)18-13(17)9-4-3-7-19-9/h1-8H
InChIKeyCXWPMMHGHUNGGF-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.98
Rot. Bonds2

About (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate

(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate (PubChem CID 10540095) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate
PubChem CID10540095
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate
SMILESO=C(Oc1cc(=O)n2ccccc2n1)c1cccs1
InChIInChI=1S/C13H8N2O3S/c16-12-8-11(14-10-5-1-2-6-15(10)12)18-13(17)9-4-3-7-19-9/h1-8H
InChIKeyCXWPMMHGHUNGGF-UHFFFAOYSA-N
XLogP1.98
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
CID 10564684
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 47009528
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) benzoate
CID 134087021
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 3693521
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 4001669
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-chlorobenzoate
CID 134105909
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
2-[(2-thiophen-2-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47010953
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl thiophene-3-carboxylate
CID 17471308
2-(thiolan-3-yloxy)pyrido[1,2-a]pyrimidin-4-one
CID 126954535
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3536358
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100116

Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate (CID 10540095) is (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate is O=C(Oc1cc(=O)n2ccccc2n1)c1cccs1.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate?
The InChIKey is CXWPMMHGHUNGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-12-8-11(14-10-5-1-2-6-15(10)12)18-13(17)9-4-3-7-19-9/h1-8H.
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate has a molecular weight of 272.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyrido[1,2-a]pyrimidin-2-yl) thiophene-2-carboxylate is sourced from PubChem (CID 10540095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).