3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid

C20H15N3O3S — CID 28900516

IUPAC3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccncc2)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H15N3O3S/c24-17(25)8-11-23-18(14-6-9-21-10-7-14)22-19-15(20(23)26)12-16(27-19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,24,25)
InChIKeyGVMQQKLYVPDGMM-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.66
Rot. Bonds5

About 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid

3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid (PubChem CID 28900516) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
PubChem CID28900516
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccncc2)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C20H15N3O3S/c24-17(25)8-11-23-18(14-6-9-21-10-7-14)22-19-15(20(23)26)12-16(27-19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,24,25)
InChIKeyGVMQQKLYVPDGMM-UHFFFAOYSA-N
XLogP3.66
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxo-2,6-diphenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 28899931
3-(12-oxo-10-pyridin-4-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)propanoic acid
CID 28900513
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetonitrile
CID 23411280
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 23410675
3-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23411358
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409533
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
2-methyl-6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
CID 1228645
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
3-(5,6-dimethyl-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82145292
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23410476

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid?
The IUPAC name of 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid (CID 28900516) is 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid?
The canonical SMILES for 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid is O=C(O)CCn1c(-c2ccncc2)nc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid?
The InChIKey is GVMQQKLYVPDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-17(25)8-11-23-18(14-6-9-21-10-7-14)22-19-15(20(23)26)12-16(27-19)13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2,(H,24,25).
What are the key properties of 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid?
3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid has a molecular weight of 377.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-6-phenyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 28900516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).