6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine

C24H25N5O2 — CID 142157586

IUPAC6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
SMILESC1=CN2C=C(c3ccc4c(c3)OCO4)N/C(=N\C3CCN(Cc4ccccc4)C3)C2N1
InChIInChI=1S/C24H25N5O2/c1-2-4-17(5-3-1)13-28-10-8-19(14-28)26-23-24-25-9-11-29(24)15-20(27-23)18-6-7-21-22(12-18)31-16-30-21/h1-7,9,11-12,15,19,24-25H,8,10,13-14,16H2,(H,26,27)
InChIKeyVWFKGEGGIYGSJJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.69
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine

6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine (PubChem CID 142157586) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
PubChem CID142157586
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
SMILESC1=CN2C=C(c3ccc4c(c3)OCO4)N/C(=N\C3CCN(Cc4ccccc4)C3)C2N1
InChIInChI=1S/C24H25N5O2/c1-2-4-17(5-3-1)13-28-10-8-19(14-28)26-23-24-25-9-11-29(24)15-20(27-23)18-6-7-21-22(12-18)31-16-30-21/h1-7,9,11-12,15,19,24-25H,8,10,13-14,16H2,(H,26,27)
InChIKeyVWFKGEGGIYGSJJ-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine (CID 142157586) is 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine is C1=CN2C=C(c3ccc4c(c3)OCO4)N/C(=N\C3CCN(Cc4ccccc4)C3)C2N1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?
The InChIKey is VWFKGEGGIYGSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-2-4-17(5-3-1)13-28-10-8-19(14-28)26-23-24-25-9-11-29(24)15-20(27-23)18-6-7-21-22(12-18)31-16-30-21/h1-7,9,11-12,15,19,24-25H,8,10,13-14,16H2,(H,26,27).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?
6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine has a molecular weight of 415.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrrolidin-3-yl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine is sourced from PubChem (CID 142157586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).