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

C19H29N5S — CID 118747077

IUPAC8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)s1
InChIInChI=1S/C19H29N5S/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22/h4-5,12,16H,6-11,13-14H2,1-3H3
InChIKeyRXWQPPJCPYWIAN-UHFFFAOYSA-N
MW359.54 g/mol
LogP2.58
Rot. Bonds4

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

8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118747077) has the molecular formula C19H29N5S and a molecular weight of 359.54 g/mol. Its IUPAC name is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118747077
Molecular FormulaC19H29N5S
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)s1
InChIInChI=1S/C19H29N5S/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22/h4-5,12,16H,6-11,13-14H2,1-3H3
InChIKeyRXWQPPJCPYWIAN-UHFFFAOYSA-N
XLogP2.58
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131643751
8-methyl-7-[(5-methylfuran-2-yl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131659648
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747086
2-[[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845569
cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97471286
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
(2-methylfuran-3-yl)-[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155849378
2-[[8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 131644873
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
3,5-dimethyl-4-[[(8S)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392186
3,5-dimethyl-4-[[(8R)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392197
(8S)-7-(furan-2-ylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384615

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118747077) is 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Cc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3C2C)s1.
What is the InChIKey of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is RXWQPPJCPYWIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S/c1-15-4-5-18(25-15)14-23-10-11-24-17(12-20-19(24)16(23)2)13-22-8-6-21(3)7-9-22/h4-5,12,16H,6-11,13-14H2,1-3H3.
What are the key properties of 8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 359.54 g/mol, XLogP of 2.58, 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-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118747077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).