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

C18H31N5O — CID 97406827

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCN(Cc2cnc3n2CCN(CC2CCOCC2)C3)CC1
InChIInChI=1S/C18H31N5O/c1-20-4-6-21(7-5-20)14-17-12-19-18-15-22(8-9-23(17)18)13-16-2-10-24-11-3-16/h12,16H,2-11,13-15H2,1H3
InChIKeyHPKSBGHXEZYNQE-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.87
Rot. Bonds4

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

3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97406827) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97406827
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCN(Cc2cnc3n2CCN(CC2CCOCC2)C3)CC1
InChIInChI=1S/C18H31N5O/c1-20-4-6-21(7-5-20)14-17-12-19-18-15-22(8-9-23(17)18)13-16-2-10-24-11-3-16/h12,16H,2-11,13-15H2,1H3
InChIKeyHPKSBGHXEZYNQE-UHFFFAOYSA-N
XLogP0.87
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97406827) is 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CN1CCN(Cc2cnc3n2CCN(CC2CCOCC2)C3)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is HPKSBGHXEZYNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-20-4-6-21(7-5-20)14-17-12-19-18-15-22(8-9-23(17)18)13-16-2-10-24-11-3-16/h12,16H,2-11,13-15H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 333.48 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97406827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).