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

C17H25N5S — CID 97471139

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCN(Cc2cnc3n2CCN(Cc2cccs2)C3)CC1
InChIInChI=1S/C17H25N5S/c1-19-4-6-20(7-5-19)12-15-11-18-17-14-21(8-9-22(15)17)13-16-3-2-10-23-16/h2-3,10-11H,4-9,12-14H2,1H3
InChIKeyVVJOUEOQEPZJEO-UHFFFAOYSA-N
MW331.49 g/mol
LogP1.71
Rot. Bonds4

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

3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97471139) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97471139
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCN(Cc2cnc3n2CCN(Cc2cccs2)C3)CC1
InChIInChI=1S/C17H25N5S/c1-19-4-6-20(7-5-19)12-15-11-18-17-14-21(8-9-22(15)17)13-16-3-2-10-23-16/h2-3,10-11H,4-9,12-14H2,1H3
InChIKeyVVJOUEOQEPZJEO-UHFFFAOYSA-N
XLogP1.71
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97471139) is 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CN1CCN(Cc2cnc3n2CCN(Cc2cccs2)C3)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is VVJOUEOQEPZJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-19-4-6-20(7-5-19)12-15-11-18-17-14-21(8-9-22(15)17)13-16-3-2-10-23-16/h2-3,10-11H,4-9,12-14H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 331.49 g/mol, XLogP of 1.71, 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-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97471139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).