3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H15F3N4O4 — CID 33365062

IUPAC3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C20H15F3N4O4/c1-25-15-13(7-8-14(24-15)20(21,22)23)18(30)27(19(25)31)10-4-9-26-16(28)11-5-2-3-6-12(11)17(26)29/h2-3,5-8H,4,9-10H2,1H3
InChIKeyVEQGOIBXAPZBPU-UHFFFAOYSA-N
MW432.36 g/mol
LogP1.80
Rot. Bonds4

About 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 33365062) has the molecular formula C20H15F3N4O4 and a molecular weight of 432.36 g/mol. Its IUPAC name is 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID33365062
Molecular FormulaC20H15F3N4O4
Molecular Weight432.36 g/mol
Exact Mass432.10
IUPAC Name3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C20H15F3N4O4/c1-25-15-13(7-8-14(24-15)20(21,22)23)18(30)27(19(25)31)10-4-9-26-16(28)11-5-2-3-6-12(11)17(26)29/h2-3,5-8H,4,9-10H2,1H3
InChIKeyVEQGOIBXAPZBPU-UHFFFAOYSA-N
XLogP1.80
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione 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 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 33365062) is 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(CCCN2C(=O)c3ccccc3C2=O)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VEQGOIBXAPZBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O4/c1-25-15-13(7-8-14(24-15)20(21,22)23)18(30)27(19(25)31)10-4-9-26-16(28)11-5-2-3-6-12(11)17(26)29/h2-3,5-8H,4,9-10H2,1H3.
What are the key properties of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 432.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 33365062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).