5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

C32H30FN3O5 — CID 144833152

IUPAC5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1ccc(-n2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3c(Oc4ccc(C)cc4C)cc(=O)n(C)c32)c(F)c1
InChIInChI=1S/C32H30FN3O5/c1-6-21-10-13-25(24(33)16-21)36-30-29(31(38)35(32(36)39)18-22-8-11-23(40-5)12-9-22)27(17-28(37)34(30)4)41-26-14-7-19(2)15-20(26)3/h7-17H,6,18H2,1-5H3
InChIKeyQSLREUDQOQLZOR-UHFFFAOYSA-N
MW555.61 g/mol
LogP5.02
Rot. Bonds7

About 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 144833152) has the molecular formula C32H30FN3O5 and a molecular weight of 555.61 g/mol. Its IUPAC name is 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID144833152
Molecular FormulaC32H30FN3O5
Molecular Weight555.61 g/mol
Exact Mass555.22
IUPAC Name5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCc1ccc(-n2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3c(Oc4ccc(C)cc4C)cc(=O)n(C)c32)c(F)c1
InChIInChI=1S/C32H30FN3O5/c1-6-21-10-13-25(24(33)16-21)36-30-29(31(38)35(32(36)39)18-22-8-11-23(40-5)12-9-22)27(17-28(37)34(30)4)41-26-14-7-19(2)15-20(26)3/h7-17H,6,18H2,1-5H3
InChIKeyQSLREUDQOQLZOR-UHFFFAOYSA-N
XLogP5.02
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;5-(4-fluoro-2-methylphenoxy)-1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 144833171
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
ethane;1-(2-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-5-[(2-methyl-4-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 144833260
1-(2-fluoro-4-iodophenyl)-5-(5-fluoro-2-methylphenoxy)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 118041764
N-[3-[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]oxy-2-methylphenyl]-3,3-dimethylbutanamide
CID 134167146
4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
CID 160668130
2-(2-fluoro-4-iodoanilino)-4-(3-hydroxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide;1-(2-fluoro-4-iodophenyl)-5-(3-hydroxy-2-methylphenoxy)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
CID 158830046
3-[3-[[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]sulfanylazetidine-1-carboxylic acid
CID 118665844
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
6-chloro-1-[(4-ethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 143501880
ethane;2-[6-[5-(2-fluoro-4-methylanilino)-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]-2,3-dihydroindol-1-yl]acetamide
CID 145027509
1-[[3-chloro-4-(2,4-dimethylphenoxy)phenyl]methyl]-3-(difluoromethyl)pyrimidine-2,4-dione
CID 167252096

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 144833152) is 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is CCc1ccc(-n2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3c(Oc4ccc(C)cc4C)cc(=O)n(C)c32)c(F)c1.
What is the InChIKey of 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is QSLREUDQOQLZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O5/c1-6-21-10-13-25(24(33)16-21)36-30-29(31(38)35(32(36)39)18-22-8-11-23(40-5)12-9-22)27(17-28(37)34(30)4)41-26-14-7-19(2)15-20(26)3/h7-17H,6,18H2,1-5H3.
What are the key properties of 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 555.61 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenoxy)-1-(4-ethyl-2-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 144833152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).