4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C15H15ClFN3O — CID 89487533

IUPAC4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESNCCC1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21
InChIInChI=1S/C15H15ClFN3O/c16-10-1-2-13(17)12(6-10)9-5-14-15(21)19-7-11(3-4-18)20(14)8-9/h1-2,5-6,8,11H,3-4,7,18H2,(H,19,21)
InChIKeyULUXSJWGHHTYMZ-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 89487533) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID89487533
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESNCCC1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21
InChIInChI=1S/C15H15ClFN3O/c16-10-1-2-13(17)12(6-10)9-5-14-15(21)19-7-11(3-4-18)20(14)8-9/h1-2,5-6,8,11H,3-4,7,18H2,(H,19,21)
InChIKeyULUXSJWGHHTYMZ-UHFFFAOYSA-N
XLogP2.58
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 89487533) is 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is NCCC1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21.
What is the InChIKey of 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is ULUXSJWGHHTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-10-1-2-13(17)12(6-10)9-5-14-15(21)19-7-11(3-4-18)20(14)8-9/h1-2,5-6,8,11H,3-4,7,18H2,(H,19,21).
What are the key properties of 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 307.76 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 89487533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).