1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C18H15FIN3O4 — CID 59717208

IUPAC1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(-c3ccc(I)cc3F)c(=O)n(C3CC3)c2n(C)c1=O
InChIInChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)22(10-4-5-10)18(27)23(17(13)26)12-6-3-9(20)7-11(12)19/h3,6-7,10,24H,4-5H2,1-2H3
InChIKeyPMQIKTLQUYIEAX-UHFFFAOYSA-N
MW483.24 g/mol
LogP1.94
Rot. Bonds2

About 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717208) has the molecular formula C18H15FIN3O4 and a molecular weight of 483.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59717208
Molecular FormulaC18H15FIN3O4
Molecular Weight483.24 g/mol
Exact Mass483.01
IUPAC Name1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(-c3ccc(I)cc3F)c(=O)n(C3CC3)c2n(C)c1=O
InChIInChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)22(10-4-5-10)18(27)23(17(13)26)12-6-3-9(20)7-11(12)19/h3,6-7,10,24H,4-5H2,1-2H3
InChIKeyPMQIKTLQUYIEAX-UHFFFAOYSA-N
XLogP1.94
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717208) is 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1c(O)c2c(=O)n(-c3ccc(I)cc3F)c(=O)n(C3CC3)c2n(C)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is PMQIKTLQUYIEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O4/c1-8-14(24)13-15(21(2)16(8)25)22(10-4-5-10)18(27)23(17(13)26)12-6-3-9(20)7-11(12)19/h3,6-7,10,24H,4-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 483.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).