1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione

C30H26FN3O5 — CID 144833168

IUPAC1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(Cn2c(=O)c3c(Oc4ccccc4C)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1
InChIInChI=1S/C30H26FN3O5/c1-18-9-14-23(22(31)15-18)34-28-27(25(16-26(35)32(28)3)39-24-8-6-5-7-19(24)2)29(36)33(30(34)37)17-20-10-12-21(38-4)13-11-20/h5-16H,17H2,1-4H3
InChIKeyWNJLBZHACBQUFK-UHFFFAOYSA-N
MW527.55 g/mol
LogP4.46
Rot. Bonds6

About 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione

1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 144833168) has the molecular formula C30H26FN3O5 and a molecular weight of 527.55 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID144833168
Molecular FormulaC30H26FN3O5
Molecular Weight527.55 g/mol
Exact Mass527.19
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(Cn2c(=O)c3c(Oc4ccccc4C)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1
InChIInChI=1S/C30H26FN3O5/c1-18-9-14-23(22(31)15-18)34-28-27(25(16-26(35)32(28)3)39-24-8-6-5-7-19(24)2)29(36)33(30(34)37)17-20-10-12-21(38-4)13-11-20/h5-16H,17H2,1-4H3
InChIKeyWNJLBZHACBQUFK-UHFFFAOYSA-N
XLogP4.46
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 144833168) is 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1ccc(Cn2c(=O)c3c(Oc4ccccc4C)cc(=O)n(C)c3n(-c3ccc(C)cc3F)c2=O)cc1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is WNJLBZHACBQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O5/c1-18-9-14-23(22(31)15-18)34-28-27(25(16-26(35)32(28)3)39-24-8-6-5-7-19(24)2)29(36)33(30(34)37)17-20-10-12-21(38-4)13-11-20/h5-16H,17H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione?
1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 527.55 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-(2-methylphenoxy)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 144833168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).