3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one

C15H14FN3O — CID 90064274

IUPAC3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one
SMILESC[C@@H](N)c1cn2ccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H14FN3O/c1-10(17)13-9-18-8-7-12(16)14(18)15(20)19(13)11-5-3-2-4-6-11/h2-10H,17H2,1H3/t10-/m1/s1
InChIKeyJFRIAODCKMUITM-SNVBAGLBSA-N
MW271.30 g/mol
LogP2.25
Rot. Bonds2

About 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one

3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90064274) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID90064274
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one
SMILESC[C@@H](N)c1cn2ccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H14FN3O/c1-10(17)13-9-18-8-7-12(16)14(18)15(20)19(13)11-5-3-2-4-6-11/h2-10H,17H2,1H3/t10-/m1/s1
InChIKeyJFRIAODCKMUITM-SNVBAGLBSA-N
XLogP2.25
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one (CID 90064274) is 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one is C[C@@H](N)c1cn2ccc(F)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is JFRIAODCKMUITM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-10(17)13-9-18-8-7-12(16)14(18)15(20)19(13)11-5-3-2-4-6-11/h2-10H,17H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one?
3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 271.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-8-fluoro-2-phenylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90064274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).