[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone

C17H23N7O — CID 97392163

IUPAC[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
SMILESCN1CCN(Cc2cnc3n2CCN(C(=O)c2cnccn2)C3)CC1
InChIInChI=1S/C17H23N7O/c1-21-4-6-22(7-5-21)12-14-10-20-16-13-23(8-9-24(14)16)17(25)15-11-18-2-3-19-15/h2-3,10-11H,4-9,12-13H2,1H3
InChIKeyCBJNXMXIBYDYNE-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.08
Rot. Bonds3

About [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone

[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone (PubChem CID 97392163) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
PubChem CID97392163
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
SMILESCN1CCN(Cc2cnc3n2CCN(C(=O)c2cnccn2)C3)CC1
InChIInChI=1S/C17H23N7O/c1-21-4-6-22(7-5-21)12-14-10-20-16-13-23(8-9-24(14)16)17(25)15-11-18-2-3-19-15/h2-3,10-11H,4-9,12-13H2,1H3
InChIKeyCBJNXMXIBYDYNE-UHFFFAOYSA-N
XLogP0.08
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone (CID 97392163) is [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone is CN1CCN(Cc2cnc3n2CCN(C(=O)c2cnccn2)C3)CC1.
What is the InChIKey of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is CBJNXMXIBYDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-21-4-6-22(7-5-21)12-14-10-20-16-13-23(8-9-24(14)16)17(25)15-11-18-2-3-19-15/h2-3,10-11H,4-9,12-13H2,1H3.
What are the key properties of [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 341.42 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97392163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).