3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid

C15H10FN3O3 — CID 22482151

IUPAC3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(=O)n(Cc3cccc(F)c3)cnc2cn1
InChIInChI=1S/C15H10FN3O3/c16-10-3-1-2-9(4-10)7-19-8-18-13-6-17-12(15(21)22)5-11(13)14(19)20/h1-6,8H,7H2,(H,21,22)
InChIKeySMPOZSZTZOCPHG-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.68
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid

3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 22482151) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID22482151
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc2c(=O)n(Cc3cccc(F)c3)cnc2cn1
InChIInChI=1S/C15H10FN3O3/c16-10-3-1-2-9(4-10)7-19-8-18-13-6-17-12(15(21)22)5-11(13)14(19)20/h1-6,8H,7H2,(H,21,22)
InChIKeySMPOZSZTZOCPHG-UHFFFAOYSA-N
XLogP1.68
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid (CID 22482151) is 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc2c(=O)n(Cc3cccc(F)c3)cnc2cn1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is SMPOZSZTZOCPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-10-3-1-2-9(4-10)7-19-8-18-13-6-17-12(15(21)22)5-11(13)14(19)20/h1-6,8H,7H2,(H,21,22).
What are the key properties of 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid?
3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 22482151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).