1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

C20H23N5O — CID 124977676

IUPAC1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN(C)c1cncc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H23N5O/c1-24(2)19-13-21-12-17(23-19)18-8-5-9-25(18)20(26)10-14-11-22-16-7-4-3-6-15(14)16/h3-4,6-7,11-13,18,22H,5,8-10H2,1-2H3/t18-/m1/s1
InChIKeyLOEMFVHTQPCHEP-GOSISDBHSA-N
MW349.44 g/mol
LogP2.93
Rot. Bonds4

About 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 124977676) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID124977676
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCN(C)c1cncc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H23N5O/c1-24(2)19-13-21-12-17(23-19)18-8-5-9-25(18)20(26)10-14-11-22-16-7-4-3-6-15(14)16/h3-4,6-7,11-13,18,22H,5,8-10H2,1-2H3/t18-/m1/s1
InChIKeyLOEMFVHTQPCHEP-GOSISDBHSA-N
XLogP2.93
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124982957
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127247055
1-[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155985300
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 127247057
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92616786
2-(1H-indol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779559
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412
2-(1H-indol-3-yl)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 75475009
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95835239
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110265145

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 124977676) is 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is CN(C)c1cncc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is LOEMFVHTQPCHEP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(2)19-13-21-12-17(23-19)18-8-5-9-25(18)20(26)10-14-11-22-16-7-4-3-6-15(14)16/h3-4,6-7,11-13,18,22H,5,8-10H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 124977676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).