1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone

C18H17N3OS — CID 110114137

IUPAC1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cncc(C2CCCN2C(=O)c2cc3ccccc3s2)n1
InChIInChI=1S/C18H17N3OS/c1-12-10-19-11-14(20-12)15-6-4-8-21(15)18(22)17-9-13-5-2-3-7-16(13)23-17/h2-3,5,7,9-11,15H,4,6,8H2,1H3
InChIKeyANBSQHULRGGSTG-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.98
Rot. Bonds2

About 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone

1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110114137) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110114137
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cncc(C2CCCN2C(=O)c2cc3ccccc3s2)n1
InChIInChI=1S/C18H17N3OS/c1-12-10-19-11-14(20-12)15-6-4-8-21(15)18(22)17-9-13-5-2-3-7-16(13)23-17/h2-3,5,7,9-11,15H,4,6,8H2,1H3
InChIKeyANBSQHULRGGSTG-UHFFFAOYSA-N
XLogP3.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124966275
(2-methyl-1-benzofuran-5-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 125007396
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340
(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124954325
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114134
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 51888539
1-benzothiophen-2-yl-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 142269608
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652542
[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124956541
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone (CID 110114137) is 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone is Cc1cncc(C2CCCN2C(=O)c2cc3ccccc3s2)n1.
What is the InChIKey of 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ANBSQHULRGGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-10-19-11-14(20-12)15-6-4-8-21(15)18(22)17-9-13-5-2-3-7-16(13)23-17/h2-3,5,7,9-11,15H,4,6,8H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 323.42 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110114137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).