2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine

C17H17N3S — CID 124961471

IUPAC2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESc1ccc2sc(CN3CCC[C@@H]3c3cnccn3)cc2c1
InChIInChI=1S/C17H17N3S/c1-2-6-17-13(4-1)10-14(21-17)12-20-9-3-5-16(20)15-11-18-7-8-19-15/h1-2,4,6-8,10-11,16H,3,5,9,12H2/t16-/m1/s1
InChIKeyHBTLBMQFKGGZLL-MRXNPFEDSA-N
MW295.41 g/mol
LogP4.03
Rot. Bonds3

About 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine

2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 124961471) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID124961471
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESc1ccc2sc(CN3CCC[C@@H]3c3cnccn3)cc2c1
InChIInChI=1S/C17H17N3S/c1-2-6-17-13(4-1)10-14(21-17)12-20-9-3-5-16(20)15-11-18-7-8-19-15/h1-2,4,6-8,10-11,16H,3,5,9,12H2/t16-/m1/s1
InChIKeyHBTLBMQFKGGZLL-MRXNPFEDSA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954065
4-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 124954066
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124945120
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 110103097
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
2-[(2S)-1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124955216
5-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129342039
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
3-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 110103100
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 124961471) is 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine is c1ccc2sc(CN3CCC[C@@H]3c3cnccn3)cc2c1.
What is the InChIKey of 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is HBTLBMQFKGGZLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-6-17-13(4-1)10-14(21-17)12-20-9-3-5-16(20)15-11-18-7-8-19-15/h1-2,4,6-8,10-11,16H,3,5,9,12H2/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 295.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 124961471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).