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

C17H12F3N3O4 — CID 134962543

IUPACethyl 2,4-dioxo-5-phenyl-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-c1ccccc1
InChIInChI=1S/C17H12F3N3O4/c1-2-27-15(25)10-9(8-6-4-3-5-7-8)11-13(21-12(10)17(18,19)20)22-16(26)23-14(11)24/h3-7H,2H2,1H3,(H2,21,22,23,24,26)
InChIKeyCHNOCUJOLCPNSE-UHFFFAOYSA-N
MW379.29 g/mol
LogP2.47
Rot. Bonds3

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

ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 134962543) has the molecular formula C17H12F3N3O4 and a molecular weight of 379.29 g/mol. Its IUPAC name is ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID134962543
Molecular FormulaC17H12F3N3O4
Molecular Weight379.29 g/mol
Exact Mass379.08
IUPAC Nameethyl 2,4-dioxo-5-phenyl-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-c1ccccc1
InChIInChI=1S/C17H12F3N3O4/c1-2-27-15(25)10-9(8-6-4-3-5-7-8)11-13(21-12(10)17(18,19)20)22-16(26)23-14(11)24/h3-7H,2H2,1H3,(H2,21,22,23,24,26)
InChIKeyCHNOCUJOLCPNSE-UHFFFAOYSA-N
XLogP2.47
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7,7-Dimethyl-2-thioxo-1,2,3,5,7,8-hexahydro-6-oxa-1,3,9-triaza-anthracen-4-one
CID 5410076
7-Ethyl-2-mercapto-7-methyl-3-phenyl-3,5,7,8-tetrahydro-6-oxa-1,3,9-triaza-anthracen-4-one
CID 6054733
Ethyl 1-benzyl-7-(4-fluorophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2473907
8,8-dimethyl-3-phenyl-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
CID 5395283
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
6-(benzylamino)-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carboxamide
CID 657585
3,3-dimethyl-8-phenyl-6-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carboxamide
CID 658952
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 134962543) is ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,4-dioxo-5-phenyl-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-c1ccccc1.
What is the InChIKey of ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CHNOCUJOLCPNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O4/c1-2-27-15(25)10-9(8-6-4-3-5-7-8)11-13(21-12(10)17(18,19)20)22-16(26)23-14(11)24/h3-7H,2H2,1H3,(H2,21,22,23,24,26).
What are the key properties of ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 379.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxo-5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 134962543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).