[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H22N4OS — CID 42022974

IUPAC[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@@H]1CCc2c(C(=O)N3CCN(c4cnccn4)CC3)csc2C1
InChIInChI=1S/C18H22N4OS/c1-13-2-3-14-15(12-24-16(14)10-13)18(23)22-8-6-21(7-9-22)17-11-19-4-5-20-17/h4-5,11-13H,2-3,6-10H2,1H3/t13-/m1/s1
InChIKeyZNQVETNQBTYYMR-CYBMUJFWSA-N
MW342.47 g/mol
LogP2.63
Rot. Bonds2

About [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42022974) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42022974
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESC[C@@H]1CCc2c(C(=O)N3CCN(c4cnccn4)CC3)csc2C1
InChIInChI=1S/C18H22N4OS/c1-13-2-3-14-15(12-24-16(14)10-13)18(23)22-8-6-21(7-9-22)17-11-19-4-5-20-17/h4-5,11-13H,2-3,6-10H2,1H3/t13-/m1/s1
InChIKeyZNQVETNQBTYYMR-CYBMUJFWSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone 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

(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236486
ethyl 4-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazine-1-carboxylate
CID 78795941
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 7872422
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4746853
2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 47023802
[4-(cyclopropylmethylamino)piperidin-1-yl]-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119624612
(6R)-6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95129993
(6S)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125739
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
CID 99816784
(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125737
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 26204746
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone
CID 26204747

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42022974) is [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is C[C@@H]1CCc2c(C(=O)N3CCN(c4cnccn4)CC3)csc2C1.
What is the InChIKey of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZNQVETNQBTYYMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-2-3-14-15(12-24-16(14)10-13)18(23)22-8-6-21(7-9-22)17-11-19-4-5-20-17/h4-5,11-13H,2-3,6-10H2,1H3/t13-/m1/s1.
What are the key properties of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 342.47 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).