2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C19H21N5O — CID 42024048

IUPAC2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H21N5O/c1-15-12-16-4-2-3-5-17(16)24(15)14-19(25)23-10-8-22(9-11-23)18-13-20-6-7-21-18/h2-7,12-13H,8-11,14H2,1H3
InChIKeyWBALFABQBWXYMC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 42024048) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID42024048
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H21N5O/c1-15-12-16-4-2-3-5-17(16)24(15)14-19(25)23-10-8-22(9-11-23)18-13-20-6-7-21-18/h2-7,12-13H,8-11,14H2,1H3
InChIKeyWBALFABQBWXYMC-UHFFFAOYSA-N
XLogP2.09
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
CID 36841011
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 3573553
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-[2-(2-methylindol-1-yl)acetyl]-1,4-diazepan-5-one
CID 62046950
2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 46478925
1-[2-(2-methylindol-1-yl)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815306
2-(2-methylindol-1-yl)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265205
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 42024048) is 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is Cc1cc2ccccc2n1CC(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WBALFABQBWXYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-12-16-4-2-3-5-17(16)24(15)14-19(25)23-10-8-22(9-11-23)18-13-20-6-7-21-18/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 42024048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).