1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea

C19H17FN4O2 — CID 53118199

IUPAC1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
SMILESCc1ccc(NC(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)cc1C
InChIInChI=1S/C19H17FN4O2/c1-12-3-6-15(11-13(12)2)22-19(26)23-17-18(25)24(10-9-21-17)16-7-4-14(20)5-8-16/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyZLJLMXXAOCHMTG-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.63
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea

1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea (PubChem CID 53118199) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
PubChem CID53118199
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
SMILESCc1ccc(NC(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)cc1C
InChIInChI=1S/C19H17FN4O2/c1-12-3-6-15(11-13(12)2)22-19(26)23-17-18(25)24(10-9-21-17)16-7-4-14(20)5-8-16/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyZLJLMXXAOCHMTG-UHFFFAOYSA-N
XLogP3.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
1-(3-methylphenyl)-3-[3-oxo-4-(4-propan-2-ylphenyl)pyrazin-2-yl]urea
CID 53118315
1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118349
3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118375
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
1-(4-fluorophenyl)-3-methylpyrazin-2-one
CID 163969360
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
CID 112708450
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea (CID 53118199) is 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea is Cc1ccc(NC(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea?
The InChIKey is ZLJLMXXAOCHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-3-6-15(11-13(12)2)22-19(26)23-17-18(25)24(10-9-21-17)16-7-4-14(20)5-8-16/h3-11H,1-2H3,(H2,21,22,23,26).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea?
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea has a molecular weight of 352.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea is sourced from PubChem (CID 53118199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).