2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile

C19H19N5O — CID 143251504

IUPAC2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCCC2)cc2ccnn2c1=O
InChIInChI=1S/C19H19N5O/c20-13-15-6-2-3-7-16(15)14-23-18(22-10-4-1-5-11-22)12-17-8-9-21-24(17)19(23)25/h2-3,6-9,12H,1,4-5,10-11,14H2
InChIKeyPWGFMDIPAZPAIU-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.41
Rot. Bonds3

About 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile

2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile (PubChem CID 143251504) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile
PubChem CID143251504
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(N2CCCCC2)cc2ccnn2c1=O
InChIInChI=1S/C19H19N5O/c20-13-15-6-2-3-7-16(15)14-23-18(22-10-4-1-5-11-22)12-17-8-9-21-24(17)19(23)25/h2-3,6-9,12H,1,4-5,10-11,14H2
InChIKeyPWGFMDIPAZPAIU-UHFFFAOYSA-N
XLogP2.41
TPSA66.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2,4-dioxo-6-piperidin-1-yl-3-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-1-yl]methyl]benzonitrile
CID 143116198
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 11487504
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107
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-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
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
2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11392716
2-[[3-[(4-amino-2,3-dihydrothiophen-5-yl)methyl]-6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 70849791
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 16658243
2-[(6-fluoro-7-morpholin-4-yl-4-oxo-2-piperidin-1-ylquinazolin-3-yl)methyl]benzonitrile
CID 142948372
2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile?
The IUPAC name of 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile (CID 143251504) is 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1c(N2CCCCC2)cc2ccnn2c1=O.
What is the InChIKey of 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile?
The InChIKey is PWGFMDIPAZPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-13-15-6-2-3-7-16(15)14-23-18(22-10-4-1-5-11-22)12-17-8-9-21-24(17)19(23)25/h2-3,6-9,12H,1,4-5,10-11,14H2.
What are the key properties of 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile?
2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile has a molecular weight of 333.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile is sourced from PubChem (CID 143251504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).