7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C15H12BrFN2O4 — CID 54718140

IUPAC7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1c2c(O)c(O)c(Br)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN2O4/c16-10-12(20)13(21)11-15(23)18(5-6-19(11)14(10)22)7-8-1-3-9(17)4-2-8/h1-4,20-21H,5-7H2
InChIKeyDQJCPBNTEWWPSV-UHFFFAOYSA-N
MW383.17 g/mol
LogP1.82
Rot. Bonds2

About 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 54718140) has the molecular formula C15H12BrFN2O4 and a molecular weight of 383.17 g/mol. Its IUPAC name is 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID54718140
Molecular FormulaC15H12BrFN2O4
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC Name7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESO=C1c2c(O)c(O)c(Br)c(=O)n2CCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN2O4/c16-10-12(20)13(21)11-15(23)18(5-6-19(11)14(10)22)7-8-1-3-9(17)4-2-8/h1-4,20-21H,5-7H2
InChIKeyDQJCPBNTEWWPSV-UHFFFAOYSA-N
XLogP1.82
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 54718140) is 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is O=C1c2c(O)c(O)c(Br)c(=O)n2CCN1Cc1ccc(F)cc1.
What is the InChIKey of 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is DQJCPBNTEWWPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O4/c16-10-12(20)13(21)11-15(23)18(5-6-19(11)14(10)22)7-8-1-3-9(17)4-2-8/h1-4,20-21H,5-7H2.
What are the key properties of 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 383.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 54718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).