2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

C20H18N6O2 — CID 135520056

IUPAC2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2nc(C)nc3c2cnn3-c2ccccc2)ccc1O
InChIInChI=1S/C20H18N6O2/c1-13-23-19(25-21-11-14-8-9-17(27)18(10-14)28-2)16-12-22-26(20(16)24-13)15-6-4-3-5-7-15/h3-12,27H,1-2H3,(H,23,24,25)/b21-11+
InChIKeyQVZJKGXVIWDRGT-SRZZPIQSSA-N
MW374.40 g/mol
LogP3.28
Rot. Bonds5

About 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135520056) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135520056
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2nc(C)nc3c2cnn3-c2ccccc2)ccc1O
InChIInChI=1S/C20H18N6O2/c1-13-23-19(25-21-11-14-8-9-17(27)18(10-14)28-2)16-12-22-26(20(16)24-13)15-6-4-3-5-7-15/h3-12,27H,1-2H3,(H,23,24,25)/b21-11+
InChIKeyQVZJKGXVIWDRGT-SRZZPIQSSA-N
XLogP3.28
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol 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

1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
ML303
CID 136141525
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
(E)-2-methoxy-6-((2-(2-(pyridin-3-yl)quinazolin-4-yl)hydrazono)methyl)phenol
CID 135541840
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
FgGpmk1-IN-1
CID 135558907
6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4890678
4-[[(1-Benzylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 136091540
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenol
CID 90791319
2-methoxy-4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]phenol
CID 90928973
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-[(4-methoxyphenyl)methylidene]hydrazine
CID 91399119
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-[(3-methoxyphenyl)methylidene]hydrazine
CID 91435718

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135520056) is 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2nc(C)nc3c2cnn3-c2ccccc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is QVZJKGXVIWDRGT-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-23-19(25-21-11-14-8-9-17(27)18(10-14)28-2)16-12-22-26(20(16)24-13)15-6-4-3-5-7-15/h3-12,27H,1-2H3,(H,23,24,25)/b21-11+.
What are the key properties of 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 374.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).