1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea

C19H17FN4O2 — CID 46507154

IUPAC1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea
SMILESCc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H17FN4O2/c1-12-9-13(2)11-16(10-12)24-8-7-21-17(18(24)25)23-19(26)22-15-5-3-14(20)4-6-15/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyLQMYUAZWPCQMBV-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.63
Rot. Bonds3

About 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea

1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea (PubChem CID 46507154) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea
PubChem CID46507154
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea
SMILESCc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H17FN4O2/c1-12-9-13(2)11-16(10-12)24-8-7-21-17(18(24)25)23-19(26)22-15-5-3-14(20)4-6-15/h3-11H,1-2H3,(H2,21,22,23,26)
InChIKeyLQMYUAZWPCQMBV-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-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea 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 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea (CID 46507154) is 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea is Cc1cc(C)cc(-n2ccnc(NC(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea?
The InChIKey is LQMYUAZWPCQMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-9-13(2)11-16(10-12)24-8-7-21-17(18(24)25)23-19(26)22-15-5-3-14(20)4-6-15/h3-11H,1-2H3,(H2,21,22,23,26).
What are the key properties of 1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea?
1-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)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-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 46507154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).