2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine

C24H24N4S — CID 6482920

IUPAC2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine
SMILESCc1cccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2C)c1
InChIInChI=1S/C24H24N4S/c1-17-6-5-7-19(12-17)28-11-10-27(15-18(28)2)24-14-25-13-22(26-24)21-16-29-23-9-4-3-8-20(21)23/h3-9,12-14,16,18H,10-11,15H2,1-2H3
InChIKeyWYFGXVDNBQKBOC-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.38
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine

2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482920) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine
PubChem CID6482920
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine
SMILESCc1cccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2C)c1
InChIInChI=1S/C24H24N4S/c1-17-6-5-7-19(12-17)28-11-10-27(15-18(28)2)24-14-25-13-22(26-24)21-16-29-23-9-4-3-8-20(21)23/h3-9,12-14,16,18H,10-11,15H2,1-2H3
InChIKeyWYFGXVDNBQKBOC-UHFFFAOYSA-N
XLogP5.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridazine
CID 15124627
5-(4-chlorophenyl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 20964589
1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 22433550
7-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92771815
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
CID 92745933
[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53037672
3-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95075781
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone
CID 92876993
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193
4,6-dimethyl-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile
CID 11903495
1-(4-methoxyphenyl)-4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 11896077

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine (CID 6482920) is 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine is Cc1cccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2C)c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine?
The InChIKey is WYFGXVDNBQKBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-17-6-5-7-19(12-17)28-11-10-27(15-18(28)2)24-14-25-13-22(26-24)21-16-29-23-9-4-3-8-20(21)23/h3-9,12-14,16,18H,10-11,15H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine?
2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine has a molecular weight of 400.55 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).