2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone

C19H20N4O2 — CID 91626626

IUPAC2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(Oc3cnccn3)C2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-22-12-14(16-4-2-3-5-17(16)22)10-19(24)23-9-6-15(13-23)25-18-11-20-7-8-21-18/h2-5,7-8,11-12,15H,6,9-10,13H2,1H3
InChIKeyZRJUPWLEFSUFDD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.19
Rot. Bonds4

About 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone

2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone (PubChem CID 91626626) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
PubChem CID91626626
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(Oc3cnccn3)C2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-22-12-14(16-4-2-3-5-17(16)22)10-19(24)23-9-6-15(13-23)25-18-11-20-7-8-21-18/h2-5,7-8,11-12,15H,6,9-10,13H2,1H3
InChIKeyZRJUPWLEFSUFDD-UHFFFAOYSA-N
XLogP2.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122260188
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636279
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636127

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone (CID 91626626) is 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone is Cn1cc(CC(=O)N2CCC(Oc3cnccn3)C2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is ZRJUPWLEFSUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-12-14(16-4-2-3-5-17(16)22)10-19(24)23-9-6-15(13-23)25-18-11-20-7-8-21-18/h2-5,7-8,11-12,15H,6,9-10,13H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 91626626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).