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

C19H16N6O2 — CID 135558907

IUPAC2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)ccc1O
InChIInChI=1S/C19H16N6O2/c1-27-17-9-13(7-8-16(17)26)10-22-24-18-15-11-23-25(19(15)21-12-20-18)14-5-3-2-4-6-14/h2-12,26H,1H3,(H,20,21,24)/b22-10+
InChIKeyAKHRMFAGIBQWDR-LSHDLFTRSA-N
MW360.38 g/mol
LogP2.98
Rot. Bonds5

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

2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135558907) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135558907
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)ccc1O
InChIInChI=1S/C19H16N6O2/c1-27-17-9-13(7-8-16(17)26)10-22-24-18-15-11-23-25(19(15)21-12-20-18)14-5-3-2-4-6-14/h2-12,26H,1H3,(H,20,21,24)/b22-10+
InChIKeyAKHRMFAGIBQWDR-LSHDLFTRSA-N
XLogP2.98
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135558907) is 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is AKHRMFAGIBQWDR-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-27-17-9-13(7-8-16(17)26)10-22-24-18-15-11-23-25(19(15)21-12-20-18)14-5-3-2-4-6-14/h2-12,26H,1H3,(H,20,21,24)/b22-10+.
What are the key properties of 2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 360.38 g/mol, XLogP of 2.98, 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)-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135558907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).