2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile

C15H14N4O2 — CID 63025751

IUPAC2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C15H14N4O2/c16-9-12-3-1-2-4-13(12)21-11-15(20)19-8-7-18-6-5-17-14(18)10-19/h1-6H,7-8,10-11H2
InChIKeyAKHNEGAGWHTDSZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.18
Rot. Bonds3

About 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile

2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile (PubChem CID 63025751) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile
PubChem CID63025751
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C15H14N4O2/c16-9-12-3-1-2-4-13(12)21-11-15(20)19-8-7-18-6-5-17-14(18)10-19/h1-6H,7-8,10-11H2
InChIKeyAKHNEGAGWHTDSZ-UHFFFAOYSA-N
XLogP1.18
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
CID 63025576
2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethoxy]benzonitrile
CID 62896297
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 2634554
2-(2-cyanophenoxy)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138707
2-[2-oxo-2-(1,4-thiazepan-4-yl)ethoxy]benzonitrile
CID 56813489
2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 38607341
2-[2-oxo-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethoxy]benzonitrile
CID 121442756
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
CID 4885426
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
2-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115746379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile (CID 63025751) is 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)N1CCn2ccnc2C1.
What is the InChIKey of 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is AKHNEGAGWHTDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-9-12-3-1-2-4-13(12)21-11-15(20)19-8-7-18-6-5-17-14(18)10-19/h1-6H,7-8,10-11H2.
What are the key properties of 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile?
2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 63025751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).