1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

C16H20N4OS — CID 124986769

IUPAC1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCNc1cncc([C@H]2CCCN2C(=O)Cc2ccc(C)s2)n1
InChIInChI=1S/C16H20N4OS/c1-11-5-6-12(22-11)8-16(21)20-7-3-4-14(20)13-9-18-10-15(17-2)19-13/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyOAXQCRNQYCJFTN-CQSZACIVSA-N
MW316.43 g/mol
LogP2.79
Rot. Bonds4

About 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 124986769) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID124986769
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCNc1cncc([C@H]2CCCN2C(=O)Cc2ccc(C)s2)n1
InChIInChI=1S/C16H20N4OS/c1-11-5-6-12(22-11)8-16(21)20-7-3-4-14(20)13-9-18-10-15(17-2)19-13/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyOAXQCRNQYCJFTN-CQSZACIVSA-N
XLogP2.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone 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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127246993
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127246974
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 94662284
1,3-benzodioxol-5-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652539
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
(2-cyclopropylpyrimidin-5-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 127247024
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340
1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124941970
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 97006918
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538
(E)-1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 125021075

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 124986769) is 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is CNc1cncc([C@H]2CCCN2C(=O)Cc2ccc(C)s2)n1.
What is the InChIKey of 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is OAXQCRNQYCJFTN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-5-6-12(22-11)8-16(21)20-7-3-4-14(20)13-9-18-10-15(17-2)19-13/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 316.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 124986769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).