5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione

C17H16FIN4O3 — CID 24968231

IUPAC5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(CCCO)cnc21
InChIInChI=1S/C17H16FIN4O3/c1-22-14(25)8-13(21-12-4-3-10(19)7-11(12)18)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3
InChIKeySLEMCKVYWPSXMR-UHFFFAOYSA-N
MW470.24 g/mol
LogP1.96
Rot. Bonds5

About 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione

5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 24968231) has the molecular formula C17H16FIN4O3 and a molecular weight of 470.24 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID24968231
Molecular FormulaC17H16FIN4O3
Molecular Weight470.24 g/mol
Exact Mass470.03
IUPAC Name5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
SMILESCn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(CCCO)cnc21
InChIInChI=1S/C17H16FIN4O3/c1-22-14(25)8-13(21-12-4-3-10(19)7-11(12)18)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3
InChIKeySLEMCKVYWPSXMR-UHFFFAOYSA-N
XLogP1.96
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione (CID 24968231) is 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(CCCO)cnc21.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is SLEMCKVYWPSXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN4O3/c1-22-14(25)8-13(21-12-4-3-10(19)7-11(12)18)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3.
What are the key properties of 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione?
5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 470.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-iodoanilino)-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 24968231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).