(2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate

C23H22N4O5 — CID 146431985

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc(CCC(=O)ON4C(=O)CCC4=O)cc3)c2n1
InChIInChI=1S/C23H22N4O5/c1-14-13-15(2)26-12-11-18(22(26)24-14)23(31)25-17-6-3-16(4-7-17)5-10-21(30)32-27-19(28)8-9-20(27)29/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,25,31)
InChIKeyOYVQXMWCPAOXNZ-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.74
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate (PubChem CID 146431985) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate
PubChem CID146431985
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc(CCC(=O)ON4C(=O)CCC4=O)cc3)c2n1
InChIInChI=1S/C23H22N4O5/c1-14-13-15(2)26-12-11-18(22(26)24-14)23(31)25-17-6-3-16(4-7-17)5-10-21(30)32-27-19(28)8-9-20(27)29/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,25,31)
InChIKeyOYVQXMWCPAOXNZ-UHFFFAOYSA-N
XLogP2.74
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate 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 (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate (CID 146431985) is (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate is Cc1cc(C)n2ccc(C(=O)Nc3ccc(CCC(=O)ON4C(=O)CCC4=O)cc3)c2n1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate?
The InChIKey is OYVQXMWCPAOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-14-13-15(2)26-12-11-18(22(26)24-14)23(31)25-17-6-3-16(4-7-17)5-10-21(30)32-27-19(28)8-9-20(27)29/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,25,31).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate has a molecular weight of 434.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[4-[(2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonyl)amino]phenyl]propanoate is sourced from PubChem (CID 146431985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).