ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H11F4N3O4 — CID 134962544

IUPACethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C17H11F4N3O4/c1-2-28-15(26)10-9(7-3-5-8(18)6-4-7)11-13(22-12(10)17(19,20)21)23-16(27)24-14(11)25/h3-6H,2H2,1H3,(H2,22,23,24,25,27)
InChIKeyQWEDPMIHHMPGAF-UHFFFAOYSA-N
MW397.28 g/mol
LogP2.61
Rot. Bonds3

About ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 134962544) has the molecular formula C17H11F4N3O4 and a molecular weight of 397.28 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID134962544
Molecular FormulaC17H11F4N3O4
Molecular Weight397.28 g/mol
Exact Mass397.07
IUPAC Nameethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C17H11F4N3O4/c1-2-28-15(26)10-9(7-3-5-8(18)6-4-7)11-13(22-12(10)17(19,20)21)23-16(27)24-14(11)25/h3-6H,2H2,1H3,(H2,22,23,24,25,27)
InChIKeyQWEDPMIHHMPGAF-UHFFFAOYSA-N
XLogP2.61
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

Ethyl 1-benzyl-7-(4-fluorophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2473907
Methyl 4-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamido)benzoate
CID 16008663
Ethyl 2-(3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamido)benzoate
CID 16008675
Ethyl 2-amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carboxylate
CID 25111014
diethyl 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5,6-dicarboxylate
CID 44424382
dimethyl 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5,6-dicarboxylate
CID 44424384
ethyl 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carboxylate
CID 44424386
Methyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 56737845
Ethyl 7-methyl-2,4-dioxo-1-(2-phenylethyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 56738092
1-ethyl-5-(p-tolyl)furo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(1H,3H,8H)-trione
CID 137632690
2-Amino-4-(4-fluorophenyl)-3-formyl-5-methoxycarbonyl-6-isopropyl-pyridine
CID 11438468
Methyl 5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
CID 1506150

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 134962544) is ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1c(C(F)(F)F)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is QWEDPMIHHMPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O4/c1-2-28-15(26)10-9(7-3-5-8(18)6-4-7)11-13(22-12(10)17(19,20)21)23-16(27)24-14(11)25/h3-6H,2H2,1H3,(H2,22,23,24,25,27).
What are the key properties of ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 397.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-2,4-dioxo-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 134962544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).