8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C18H15FN4O3 — CID 70519447

IUPAC8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCCC3)ncc2c1=O
InChIInChI=1S/C18H15FN4O3/c19-11-3-5-12(6-4-11)23-10-14(17(25)26)15(24)13-9-20-18(21-16(13)23)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,25,26)
InChIKeyBVFJTWWEUZACFU-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.22
Rot. Bonds3

About 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 70519447) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID70519447
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCCC3)ncc2c1=O
InChIInChI=1S/C18H15FN4O3/c19-11-3-5-12(6-4-11)23-10-14(17(25)26)15(24)13-9-20-18(21-16(13)23)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,25,26)
InChIKeyBVFJTWWEUZACFU-UHFFFAOYSA-N
XLogP2.22
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 70519447) is 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCCC3)ncc2c1=O.
What is the InChIKey of 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is BVFJTWWEUZACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-11-3-5-12(6-4-11)23-10-14(17(25)26)15(24)13-9-20-18(21-16(13)23)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,25,26).
What are the key properties of 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 354.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 70519447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).