[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone

C22H19FN2O3 — CID 24859838

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCn2cccc2C1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H19FN2O3/c23-17-5-2-1-4-16(17)22(26)25-11-10-24-9-3-6-18(24)21(25)15-7-8-19-20(14-15)28-13-12-27-19/h1-9,14,21H,10-13H2
InChIKeyHPFCQUPVVYFELY-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.64
Rot. Bonds2

About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone (PubChem CID 24859838) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
PubChem CID24859838
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCn2cccc2C1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H19FN2O3/c23-17-5-2-1-4-16(17)22(26)25-11-10-24-9-3-6-18(24)21(25)15-7-8-19-20(14-15)28-13-12-27-19/h1-9,14,21H,10-13H2
InChIKeyHPFCQUPVVYFELY-UHFFFAOYSA-N
XLogP3.64
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone (CID 24859838) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCn2cccc2C1c1ccc2c(c1)OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
The InChIKey is HPFCQUPVVYFELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-17-5-2-1-4-16(17)22(26)25-11-10-24-9-3-6-18(24)21(25)15-7-8-19-20(14-15)28-13-12-27-19/h1-9,14,21H,10-13H2.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone has a molecular weight of 378.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 24859838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).