6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C21H26N6O — CID 56883692

IUPAC6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C21H26N6O/c1-25-20-18(15-22-25)21(24-19(23-20)16-28-2)27-13-11-26(12-14-27)10-6-9-17-7-4-3-5-8-17/h3-9,15H,10-14,16H2,1-2H3/b9-6+
InChIKeyGXRFQLFKKFXLDV-RMKNXTFCSA-N
MW378.48 g/mol
LogP2.35
Rot. Bonds6

About 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 56883692) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID56883692
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C21H26N6O/c1-25-20-18(15-22-25)21(24-19(23-20)16-28-2)27-13-11-26(12-14-27)10-6-9-17-7-4-3-5-8-17/h3-9,15H,10-14,16H2,1-2H3/b9-6+
InChIKeyGXRFQLFKKFXLDV-RMKNXTFCSA-N
XLogP2.35
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 56883146
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16627332
2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994802
2-(1-methylpyrazol-4-yl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 163354935
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 42673909
1-[4-[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 42673922
1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 6211958
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 56883692) is 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is COCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is GXRFQLFKKFXLDV-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-20-18(15-22-25)21(24-19(23-20)16-28-2)27-13-11-26(12-14-27)10-6-9-17-7-4-3-5-8-17/h3-9,15H,10-14,16H2,1-2H3/b9-6+.
What are the key properties of 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 378.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56883692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).