4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid

C19H15N3O4S — CID 28896910

IUPAC4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid
SMILESO=C(O)CCCn1c(-c2ccccn2)nc2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C19H15N3O4S/c23-15(24)7-3-9-22-17(13-5-1-2-8-20-13)21-18-16(19(22)25)12(11-27-18)14-6-4-10-26-14/h1-2,4-6,8,10-11H,3,7,9H2,(H,23,24)
InChIKeyWVWDYZYSOQZNLU-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.64
Rot. Bonds6

About 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid

4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid (PubChem CID 28896910) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid
PubChem CID28896910
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid
SMILESO=C(O)CCCn1c(-c2ccccn2)nc2scc(-c3ccco3)c2c1=O
InChIInChI=1S/C19H15N3O4S/c23-15(24)7-3-9-22-17(13-5-1-2-8-20-13)21-18-16(19(22)25)12(11-27-18)14-6-4-10-26-14/h1-2,4-6,8,10-11H,3,7,9H2,(H,23,24)
InChIKeyWVWDYZYSOQZNLU-UHFFFAOYSA-N
XLogP3.64
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid with MolForge

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Related Compounds

4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
3-[5-(furan-2-yl)-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28899915
4-[2-ethyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896636
4-[5-(2,4-dimethylphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896429
4-[2-benzyl-5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 110832799
4-[5-(4-chlorophenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896382
3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
CID 512191
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 512199
3-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-2,2-dimethylpropanoic acid
CID 28898290
5-(furan-2-yl)-2-(2-oxopropylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 2386969
3-ethyl-5-(furan-2-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163734
2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898547

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid?
The IUPAC name of 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid (CID 28896910) is 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid.
What is the SMILES notation for 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid?
The canonical SMILES for 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid is O=C(O)CCCn1c(-c2ccccn2)nc2scc(-c3ccco3)c2c1=O.
What is the InChIKey of 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid?
The InChIKey is WVWDYZYSOQZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-15(24)7-3-9-22-17(13-5-1-2-8-20-13)21-18-16(19(22)25)12(11-27-18)14-6-4-10-26-14/h1-2,4-6,8,10-11H,3,7,9H2,(H,23,24).
What are the key properties of 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid?
4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid has a molecular weight of 381.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-4-oxo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-3-yl]butanoic acid is sourced from PubChem (CID 28896910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).