2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile

C19H21N7O — CID 56883146

IUPAC2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
SMILESCOCc1nc(N2CCN(c3ccccc3C#N)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H21N7O/c1-24-18-15(12-21-24)19(23-17(22-18)13-27-2)26-9-7-25(8-10-26)16-6-4-3-5-14(16)11-20/h3-6,12H,7-10,13H2,1-2H3
InChIKeyUPLZAIRJVZCMKQ-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile

2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile (PubChem CID 56883146) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
PubChem CID56883146
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
SMILESCOCc1nc(N2CCN(c3ccccc3C#N)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H21N7O/c1-24-18-15(12-21-24)19(23-17(22-18)13-27-2)26-9-7-25(8-10-26)16-6-4-3-5-14(16)11-20/h3-6,12H,7-10,13H2,1-2H3
InChIKeyUPLZAIRJVZCMKQ-UHFFFAOYSA-N
XLogP1.71
TPSA83.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56883692
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 56689606
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56885738
2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methoxy]benzonitrile
CID 63220872
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7162577
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 42673922
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42673909
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167
[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42673911

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile (CID 56883146) is 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile is COCc1nc(N2CCN(c3ccccc3C#N)CC2)c2cnn(C)c2n1.
What is the InChIKey of 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile?
The InChIKey is UPLZAIRJVZCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-24-18-15(12-21-24)19(23-17(22-18)13-27-2)26-9-7-25(8-10-26)16-6-4-3-5-14(16)11-20/h3-6,12H,7-10,13H2,1-2H3.
What are the key properties of 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile?
2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile has a molecular weight of 363.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 56883146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).