1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione

C28H21F2N3O4 — CID 168873555

IUPAC1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1ccccc1Cc1c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c2n(C)c1=O
InChIInChI=1S/C28H21F2N3O4/c1-16-5-3-4-6-17(16)15-22-24(34)23-25(31(2)26(22)35)32(20-11-7-18(29)8-12-20)28(37)33(27(23)36)21-13-9-19(30)10-14-21/h3-14,34H,15H2,1-2H3
InChIKeyWRIKIEHABUWKNB-UHFFFAOYSA-N
MW501.49 g/mol
LogP3.72
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 168873555) has the molecular formula C28H21F2N3O4 and a molecular weight of 501.49 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID168873555
Molecular FormulaC28H21F2N3O4
Molecular Weight501.49 g/mol
Exact Mass501.15
IUPAC Name1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1ccccc1Cc1c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c2n(C)c1=O
InChIInChI=1S/C28H21F2N3O4/c1-16-5-3-4-6-17(16)15-22-24(34)23-25(31(2)26(22)35)32(20-11-7-18(29)8-12-20)28(37)33(27(23)36)21-13-9-19(30)10-14-21/h3-14,34H,15H2,1-2H3
InChIKeyWRIKIEHABUWKNB-UHFFFAOYSA-N
XLogP3.72
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 53.72
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-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 168873555) is 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1ccccc1Cc1c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c2n(C)c1=O.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is WRIKIEHABUWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O4/c1-16-5-3-4-6-17(16)15-22-24(34)23-25(31(2)26(22)35)32(20-11-7-18(29)8-12-20)28(37)33(27(23)36)21-13-9-19(30)10-14-21/h3-14,34H,15H2,1-2H3.
What are the key properties of 1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 501.49 g/mol, XLogP of 3.72, 4 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-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 168873555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).