5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide

C15H10Cl2FN3O2 — CID 68686468

IUPAC5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F
InChIInChI=1S/C15H10Cl2FN3O2/c16-10-5-12-15(23)20-6-8(21(12)13(10)17)3-7-1-2-11(18)9(4-7)14(19)22/h1-2,4-6H,3H2,(H2,19,22)(H,20,23)
InChIKeyFLJOAVIGXAEZNJ-UHFFFAOYSA-N
MW354.17 g/mol
LogP2.76
Rot. Bonds3

About 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide

5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide (PubChem CID 68686468) has the molecular formula C15H10Cl2FN3O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide
PubChem CID68686468
Molecular FormulaC15H10Cl2FN3O2
Molecular Weight354.17 g/mol
Exact Mass353.01
IUPAC Name5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F
InChIInChI=1S/C15H10Cl2FN3O2/c16-10-5-12-15(23)20-6-8(21(12)13(10)17)3-7-1-2-11(18)9(4-7)14(19)22/h1-2,4-6H,3H2,(H2,19,22)(H,20,23)
InChIKeyFLJOAVIGXAEZNJ-UHFFFAOYSA-N
XLogP2.76
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide (CID 68686468) is 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide is NC(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F.
What is the InChIKey of 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is FLJOAVIGXAEZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O2/c16-10-5-12-15(23)20-6-8(21(12)13(10)17)3-7-1-2-11(18)9(4-7)14(19)22/h1-2,4-6H,3H2,(H2,19,22)(H,20,23).
What are the key properties of 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide?
5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide has a molecular weight of 354.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 68686468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).