1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

C20H13F2N3O4 — CID 164519529

IUPAC1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C20H13F2N3O4/c1-23-16(27)10-15(26)17-18(23)24(13-6-2-11(21)3-7-13)20(29)25(19(17)28)14-8-4-12(22)5-9-14/h2-10,26H,1H3
InChIKeySQZJNQVLMGGSJJ-UHFFFAOYSA-N
MW397.34 g/mol
LogP1.82
Rot. Bonds2

About 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 164519529) has the molecular formula C20H13F2N3O4 and a molecular weight of 397.34 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID164519529
Molecular FormulaC20H13F2N3O4
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC Name1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C20H13F2N3O4/c1-23-16(27)10-15(26)17-18(23)24(13-6-2-11(21)3-7-13)20(29)25(19(17)28)14-8-4-12(22)5-9-14/h2-10,26H,1H3
InChIKeySQZJNQVLMGGSJJ-UHFFFAOYSA-N
XLogP1.82
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 164519529) is 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)cc(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is SQZJNQVLMGGSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O4/c1-23-16(27)10-15(26)17-18(23)24(13-6-2-11(21)3-7-13)20(29)25(19(17)28)14-8-4-12(22)5-9-14/h2-10,26H,1H3.
What are the key properties of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 397.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 164519529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).