3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C20H23N5O — CID 125009412

IUPAC3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cncc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H23N5O/c1-21-19-13-22-12-17(24-19)18-7-4-10-25(18)20(26)9-8-14-11-23-16-6-3-2-5-15(14)16/h2-3,5-6,11-13,18,23H,4,7-10H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyVCEAMUNXNWXWQA-SFHVURJKSA-N
MW349.44 g/mol
LogP3.30
Rot. Bonds5

About 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 125009412) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID125009412
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cncc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H23N5O/c1-21-19-13-22-12-17(24-19)18-7-4-10-25(18)20(26)9-8-14-11-23-16-6-3-2-5-15(14)16/h2-3,5-6,11-13,18,23H,4,7-10H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyVCEAMUNXNWXWQA-SFHVURJKSA-N
XLogP3.30
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127246974
1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977676
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 92615778
3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 94783773
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124986769
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996383
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127246993
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 51269932
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 125009412) is 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CNc1cncc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VCEAMUNXNWXWQA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-21-19-13-22-12-17(24-19)18-7-4-10-25(18)20(26)9-8-14-11-23-16-6-3-2-5-15(14)16/h2-3,5-6,11-13,18,23H,4,7-10H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 349.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 125009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).