1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C21H25N5O2 — CID 51872140

IUPAC1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(C(=O)CN3CCN(c4cnccn4)CC3)cc2C[C@@H]1C
InChIInChI=1S/C21H25N5O2/c1-15-11-18-12-17(3-4-19(18)26(15)16(2)27)20(28)14-24-7-9-25(10-8-24)21-13-22-5-6-23-21/h3-6,12-13,15H,7-11,14H2,1-2H3/t15-/m0/s1
InChIKeyWVXUAAVUMYFWOM-HNNXBMFYSA-N
MW379.46 g/mol
LogP1.78
Rot. Bonds4

About 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 51872140) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID51872140
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(C(=O)CN3CCN(c4cnccn4)CC3)cc2C[C@@H]1C
InChIInChI=1S/C21H25N5O2/c1-15-11-18-12-17(3-4-19(18)26(15)16(2)27)20(28)14-24-7-9-25(10-8-24)21-13-22-5-6-23-21/h3-6,12-13,15H,7-11,14H2,1-2H3/t15-/m0/s1
InChIKeyWVXUAAVUMYFWOM-HNNXBMFYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[(2S)-5-[(1S)-1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51593339
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347199
1-[4-[3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]phenyl]ethanone
CID 155565090
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
3-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 47027015
N-methyl-N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167870
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-acetyl-N,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 20901839
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
N,N-bis(2-methylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 51112133
2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137048510
N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 51872140) is 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is CC(=O)N1c2ccc(C(=O)CN3CCN(c4cnccn4)CC3)cc2C[C@@H]1C.
What is the InChIKey of 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WVXUAAVUMYFWOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-11-18-12-17(3-4-19(18)26(15)16(2)27)20(28)14-24-7-9-25(10-8-24)21-13-22-5-6-23-21/h3-6,12-13,15H,7-11,14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 379.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 51872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).