5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C15H12N4O3 — CID 70566888

IUPAC5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESC=CCn1cc(C(=O)O)c(=O)c2cnc(-n3cccc3)nc21
InChIInChI=1S/C15H12N4O3/c1-2-5-19-9-11(14(21)22)12(20)10-8-16-15(17-13(10)19)18-6-3-4-7-18/h2-4,6-9H,1,5H2,(H,21,22)
InChIKeyCFGIIVFPZIULRX-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.47
Rot. Bonds4

About 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 70566888) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID70566888
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESC=CCn1cc(C(=O)O)c(=O)c2cnc(-n3cccc3)nc21
InChIInChI=1S/C15H12N4O3/c1-2-5-19-9-11(14(21)22)12(20)10-8-16-15(17-13(10)19)18-6-3-4-7-18/h2-4,6-9H,1,5H2,(H,21,22)
InChIKeyCFGIIVFPZIULRX-UHFFFAOYSA-N
XLogP1.47
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 70566888) is 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is C=CCn1cc(C(=O)O)c(=O)c2cnc(-n3cccc3)nc21.
What is the InChIKey of 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is CFGIIVFPZIULRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-2-5-19-9-11(14(21)22)12(20)10-8-16-15(17-13(10)19)18-6-3-4-7-18/h2-4,6-9H,1,5H2,(H,21,22).
What are the key properties of 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-8-prop-2-enyl-2-pyrrol-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 70566888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).