3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one

C16H15ClFN3O — CID 90064124

IUPAC3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H15ClFN3O/c1-2-13(19)14-9-20-7-6-12(17)15(20)16(22)21(14)11-5-3-4-10(18)8-11/h3-9,13H,2,19H2,1H3
InChIKeyMUEUZKIKRZCBGI-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.29
Rot. Bonds3

About 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one

3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 90064124) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
PubChem CID90064124
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one
SMILESCCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H15ClFN3O/c1-2-13(19)14-9-20-7-6-12(17)15(20)16(22)21(14)11-5-3-4-10(18)8-11/h3-9,13H,2,19H2,1H3
InChIKeyMUEUZKIKRZCBGI-UHFFFAOYSA-N
XLogP3.29
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one (CID 90064124) is 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is CCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is MUEUZKIKRZCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c1-2-13(19)14-9-20-7-6-12(17)15(20)16(22)21(14)11-5-3-4-10(18)8-11/h3-9,13H,2,19H2,1H3.
What are the key properties of 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one?
3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 319.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 90064124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).