2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol

C16H18N6O2 — CID 91895677

IUPAC2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCOc1cc(C/N=N/c2ncnc3c2cnn3C(C)C)ccc1O
InChIInChI=1S/C16H18N6O2/c1-10(2)22-16-12(8-20-22)15(17-9-18-16)21-19-7-11-4-5-13(23)14(6-11)24-3/h4-6,8-10,23H,7H2,1-3H3/b21-19+
InChIKeyWSEOGZIWAJVWOS-XUTLUUPISA-N
MW326.36 g/mol
LogP3.41
Rot. Bonds5

About 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol

2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol (PubChem CID 91895677) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol
PubChem CID91895677
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCOc1cc(C/N=N/c2ncnc3c2cnn3C(C)C)ccc1O
InChIInChI=1S/C16H18N6O2/c1-10(2)22-16-12(8-20-22)15(17-9-18-16)21-19-7-11-4-5-13(23)14(6-11)24-3/h4-6,8-10,23H,7H2,1-3H3/b21-19+
InChIKeyWSEOGZIWAJVWOS-XUTLUUPISA-N
XLogP3.41
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol (CID 91895677) is 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol is COc1cc(C/N=N/c2ncnc3c2cnn3C(C)C)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
The InChIKey is WSEOGZIWAJVWOS-XUTLUUPISA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)22-16-12(8-20-22)15(17-9-18-16)21-19-7-11-4-5-13(23)14(6-11)24-3/h4-6,8-10,23H,7H2,1-3H3/b21-19+.
What are the key properties of 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol?
2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol has a molecular weight of 326.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)diazenyl]methyl]phenol is sourced from PubChem (CID 91895677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).