8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one

C20H18Cl2FN3O2 — CID 129227475

IUPAC8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn(CC(=O)N2CC(C)(F)C2)c(=O)c2c(-c3ccc(Cl)c(Cl)c3)ccn12
InChIInChI=1S/C20H18Cl2FN3O2/c1-12-8-24(9-17(27)25-10-20(2,23)11-25)19(28)18-14(5-6-26(12)18)13-3-4-15(21)16(22)7-13/h3-8H,9-11H2,1-2H3
InChIKeyBJWOGIGJYDUWKV-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.95
Rot. Bonds3

About 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one

8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 129227475) has the molecular formula C20H18Cl2FN3O2 and a molecular weight of 422.29 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID129227475
Molecular FormulaC20H18Cl2FN3O2
Molecular Weight422.29 g/mol
Exact Mass421.08
IUPAC Name8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn(CC(=O)N2CC(C)(F)C2)c(=O)c2c(-c3ccc(Cl)c(Cl)c3)ccn12
InChIInChI=1S/C20H18Cl2FN3O2/c1-12-8-24(9-17(27)25-10-20(2,23)11-25)19(28)18-14(5-6-26(12)18)13-3-4-15(21)16(22)7-13/h3-8H,9-11H2,1-2H3
InChIKeyBJWOGIGJYDUWKV-UHFFFAOYSA-N
XLogP3.95
TPSA46.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one 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 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one (CID 129227475) is 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one is Cc1cn(CC(=O)N2CC(C)(F)C2)c(=O)c2c(-c3ccc(Cl)c(Cl)c3)ccn12.
What is the InChIKey of 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is BJWOGIGJYDUWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O2/c1-12-8-24(9-17(27)25-10-20(2,23)11-25)19(28)18-14(5-6-26(12)18)13-3-4-15(21)16(22)7-13/h3-8H,9-11H2,1-2H3.
What are the key properties of 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 422.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dichlorophenyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 129227475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).