methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

C23H16F3N5O5 — CID 22423760

IUPACmethyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C23H16F3N5O5/c1-36-21(34)14-7-5-11-28-19(14)31-20(33)13-6-4-10-27-18(13)30(22(31)35)12-17(32)29-16-9-3-2-8-15(16)23(24,25)26/h2-11H,12H2,1H3,(H,29,32)
InChIKeyUIOMBFMKHOJMCK-UHFFFAOYSA-N
MW499.41 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate

methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (PubChem CID 22423760) has the molecular formula C23H16F3N5O5 and a molecular weight of 499.41 g/mol. Its IUPAC name is methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
PubChem CID22423760
Molecular FormulaC23H16F3N5O5
Molecular Weight499.41 g/mol
Exact Mass499.11
IUPAC Namemethyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O
InChIInChI=1S/C23H16F3N5O5/c1-36-21(34)14-7-5-11-28-19(14)31-20(33)13-6-4-10-27-18(13)30(22(31)35)12-17(32)29-16-9-3-2-8-15(16)23(24,25)26/h2-11H,12H2,1H3,(H,29,32)
InChIKeyUIOMBFMKHOJMCK-UHFFFAOYSA-N
XLogP2.39
TPSA125.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate (CID 22423760) is methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O.
What is the InChIKey of methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
The InChIKey is UIOMBFMKHOJMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O5/c1-36-21(34)14-7-5-11-28-19(14)31-20(33)13-6-4-10-27-18(13)30(22(31)35)12-17(32)29-16-9-3-2-8-15(16)23(24,25)26/h2-11H,12H2,1H3,(H,29,32).
What are the key properties of methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate?
methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate has a molecular weight of 499.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,4-dioxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 22423760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).