2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile

C19H20N6O — CID 67122504

IUPAC2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCC(N)C2)cn2cncc2c1=O
InChIInChI=1S/C19H20N6O/c20-8-14-4-1-2-5-15(14)10-25-18(23-7-3-6-16(21)11-23)12-24-13-22-9-17(24)19(25)26/h1-2,4-5,9,12-13,16H,3,6-7,10-11,21H2
InChIKeyQQGVHPFHMBRTFC-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.34
Rot. Bonds3

About 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile

2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile (PubChem CID 67122504) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
PubChem CID67122504
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCC(N)C2)cn2cncc2c1=O
InChIInChI=1S/C19H20N6O/c20-8-14-4-1-2-5-15(14)10-25-18(23-7-3-6-16(21)11-23)12-24-13-22-9-17(24)19(25)26/h1-2,4-5,9,12-13,16H,3,6-7,10-11,21H2
InChIKeyQQGVHPFHMBRTFC-UHFFFAOYSA-N
XLogP1.34
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[(3R)-3-aminopiperidin-1-yl]-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile
CID 58224079
2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-oxoimidazo[5,1-f][1,2,4]triazin-3-yl]methyl]benzonitrile
CID 58224049
2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
CID 67122509
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 11487504
2-[[2-(3-aminopiperidin-1-yl)-6-oxo-5-pyrrolidin-1-ylpyrimidin-1-yl]methyl]benzonitrile
CID 23069612
6-[[6-[(3S)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
CID 76974260
2-[[2-(3-aminopiperidin-1-yl)-5-ethynyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 72953043
2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11392716
2-[[2-(3-aminopiperidin-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 68625482
2-[[2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11348315
2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuteriomethyl)pyrimidin-1-yl]methyl]benzonitrile
CID 71313111
2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuterio(113C)methyl)pyrimidin-1-yl]methyl]benzonitrile
CID 129009613

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile?
The IUPAC name of 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile (CID 67122504) is 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1c(N2CCCC(N)C2)cn2cncc2c1=O.
What is the InChIKey of 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile?
The InChIKey is QQGVHPFHMBRTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-8-14-4-1-2-5-15(14)10-25-18(23-7-3-6-16(21)11-23)12-24-13-22-9-17(24)19(25)26/h1-2,4-5,9,12-13,16H,3,6-7,10-11,21H2.
What are the key properties of 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile?
2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile has a molecular weight of 348.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,5-a]pyrazin-7-yl]methyl]benzonitrile is sourced from PubChem (CID 67122504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).