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

C18H27N5S — CID 118747086

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

8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118747086) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
• PubChem CID: 118747086
• Molecular Formula: C18H27N5S
• Molecular Weight: 345.52 g/mol
• Exact Mass: 345.20
• IUPAC Name: 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
• SMILES: CC1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccsc1
• InChI: InChI=1S/C18H27N5S/c1-15-18-19-11-17(13-21-6-4-20(2)5-7-21)23(18)9-8-22(15)12-16-3-10-24-14-16/h3,10-11,14-15H,4-9,12-13H2,1-2H3
• InChIKey: WILORJQJSHSBAZ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 27.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.52
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

The IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118747086) is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

What is the SMILES notation for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

The canonical SMILES for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2ncc(CN3CCN(C)CC3)n2CCN1Cc1ccsc1.

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

The InChIKey is WILORJQJSHSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-15-18-19-11-17(13-21-6-4-20(2)5-7-21)23(18)9-8-22(15)12-16-3-10-24-14-16/h3,10-11,14-15H,4-9,12-13H2,1-2H3.

What are the key properties of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?

8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 345.52 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118747086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).