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

C18H15FN4O2 — CID 53118200

IUPAC1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C18H15FN4O2/c1-12-3-2-4-14(11-12)21-18(25)22-16-17(24)23(10-9-20-16)15-7-5-13(19)6-8-15/h2-11H,1H3,(H2,20,21,22,25)
InChIKeyPXLAVQDRERJERR-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.32
Rot. Bonds3

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

1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea (PubChem CID 53118200) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea
PubChem CID53118200
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C18H15FN4O2/c1-12-3-2-4-14(11-12)21-18(25)22-16-17(24)23(10-9-20-16)15-7-5-13(19)6-8-15/h2-11H,1H3,(H2,20,21,22,25)
InChIKeyPXLAVQDRERJERR-UHFFFAOYSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)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-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea (CID 53118200) is 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2nccn(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
The InChIKey is PXLAVQDRERJERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12-3-2-4-14(11-12)21-18(25)22-16-17(24)23(10-9-20-16)15-7-5-13(19)6-8-15/h2-11H,1H3,(H2,20,21,22,25).
What are the key properties of 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea?
1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea has a molecular weight of 338.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 53118200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).