3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide

C15H12BrFN6O3 — CID 167959784

IUPAC3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide
SMILESCc1c(NC(=O)c2nc(Br)cnc2N)ccc(F)c1N1C(=O)CNC1=O
InChIInChI=1S/C15H12BrFN6O3/c1-6-8(21-14(25)11-13(18)19-4-9(16)22-11)3-2-7(17)12(6)23-10(24)5-20-15(23)26/h2-4H,5H2,1H3,(H2,18,19)(H,20,26)(H,21,25)
InChIKeyYKHAITSRRICXQP-UHFFFAOYSA-N
MW423.20 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide

3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide (PubChem CID 167959784) has the molecular formula C15H12BrFN6O3 and a molecular weight of 423.20 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide
PubChem CID167959784
Molecular FormulaC15H12BrFN6O3
Molecular Weight423.20 g/mol
Exact Mass422.01
IUPAC Name3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide
SMILESCc1c(NC(=O)c2nc(Br)cnc2N)ccc(F)c1N1C(=O)CNC1=O
InChIInChI=1S/C15H12BrFN6O3/c1-6-8(21-14(25)11-13(18)19-4-9(16)22-11)3-2-7(17)12(6)23-10(24)5-20-15(23)26/h2-4H,5H2,1H3,(H2,18,19)(H,20,26)(H,21,25)
InChIKeyYKHAITSRRICXQP-UHFFFAOYSA-N
XLogP1.58
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.20
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide (CID 167959784) is 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide is Cc1c(NC(=O)c2nc(Br)cnc2N)ccc(F)c1N1C(=O)CNC1=O.
What is the InChIKey of 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide?
The InChIKey is YKHAITSRRICXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN6O3/c1-6-8(21-14(25)11-13(18)19-4-9(16)22-11)3-2-7(17)12(6)23-10(24)5-20-15(23)26/h2-4H,5H2,1H3,(H2,18,19)(H,20,26)(H,21,25).
What are the key properties of 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide?
3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide has a molecular weight of 423.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[3-(2,5-dioxoimidazolidin-1-yl)-4-fluoro-2-methylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167959784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).