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

C18H21ClFN3O — CID 144557642

IUPAC3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane
SMILESCC.CCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H15ClFN3O.C2H6/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;1-2/h3-9,13H,2,19H2,1H3;1-2H3
InChIKeyLPZTZLKDUIKBND-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.32
Rot. Bonds3

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

3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane (PubChem CID 144557642) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane.

Molecular Properties

Compound Name3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane
PubChem CID144557642
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane
SMILESCC.CCC(N)c1cn2ccc(Cl)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H15ClFN3O.C2H6/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;1-2/h3-9,13H,2,19H2,1H3;1-2H3
InChIKeyLPZTZLKDUIKBND-UHFFFAOYSA-N
XLogP4.32
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.32
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;ethane?
The IUPAC name of 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane (CID 144557642) is 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane.
What is the SMILES notation for 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane?
The canonical SMILES for 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane is CC.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;ethane?
The InChIKey is LPZTZLKDUIKBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O.C2H6/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;1-2/h3-9,13H,2,19H2,1H3;1-2H3.
What are the key properties of 3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane?
3-(1-aminopropyl)-8-chloro-2-(3-fluorophenyl)pyrrolo[1,2-a]pyrazin-1-one;ethane has a molecular weight of 349.84 g/mol, XLogP of 4.32, 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;ethane is sourced from PubChem (CID 144557642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).