1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C18H21N3O — CID 17479588

IUPAC1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1c2cccn2CCN1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c1-14-16-7-4-9-19(16)11-12-20(14)13-18(22)21-10-8-15-5-2-3-6-17(15)21/h2-7,9,14H,8,10-13H2,1H3
InChIKeyQIQBSXCUWFDATL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.45
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 17479588) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID17479588
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1c2cccn2CCN1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c1-14-16-7-4-9-19(16)11-12-20(14)13-18(22)21-10-8-15-5-2-3-6-17(15)21/h2-7,9,14H,8,10-13H2,1H3
InChIKeyQIQBSXCUWFDATL-UHFFFAOYSA-N
XLogP2.45
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 18087481
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
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1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 115486415
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CID 99778930
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CID 741114
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1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 17479588) is 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is CC1c2cccn2CCN1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is QIQBSXCUWFDATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-16-7-4-9-19(16)11-12-20(14)13-18(22)21-10-8-15-5-2-3-6-17(15)21/h2-7,9,14H,8,10-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 295.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 17479588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).