4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol

C19H16N6O2 — CID 90791319

IUPAC4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol
SMILESCOc1cccc(-n2ncc3c(/N=N/Cc4ccc(O)cc4)ncnc32)c1
InChIInChI=1S/C19H16N6O2/c1-27-16-4-2-3-14(9-16)25-19-17(11-23-25)18(20-12-21-19)24-22-10-13-5-7-15(26)8-6-13/h2-9,11-12,26H,10H2,1H3/b24-22+
InChIKeyUOFAAHAIMYKPOB-ZNTNEXAZSA-N
MW360.38 g/mol
LogP3.81
Rot. Bonds5

About 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol

4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol (PubChem CID 90791319) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol
PubChem CID90791319
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol
SMILESCOc1cccc(-n2ncc3c(/N=N/Cc4ccc(O)cc4)ncnc32)c1
InChIInChI=1S/C19H16N6O2/c1-27-16-4-2-3-14(9-16)25-19-17(11-23-25)18(20-12-21-19)24-22-10-13-5-7-15(26)8-6-13/h2-9,11-12,26H,10H2,1H3/b24-22+
InChIKeyUOFAAHAIMYKPOB-ZNTNEXAZSA-N
XLogP3.81
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.81
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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Related Compounds

3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolopyridazine 1
CID 6539361
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-6-amine
CID 71452170
Sdccggsk-0000007.P001
CID 9604943
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol?
The IUPAC name of 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol (CID 90791319) is 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol.
What is the SMILES notation for 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol?
The canonical SMILES for 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol is COc1cccc(-n2ncc3c(/N=N/Cc4ccc(O)cc4)ncnc32)c1.
What is the InChIKey of 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol?
The InChIKey is UOFAAHAIMYKPOB-ZNTNEXAZSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-27-16-4-2-3-14(9-16)25-19-17(11-23-25)18(20-12-21-19)24-22-10-13-5-7-15(26)8-6-13/h2-9,11-12,26H,10H2,1H3/b24-22+.
What are the key properties of 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol?
4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol has a molecular weight of 360.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]phenol is sourced from PubChem (CID 90791319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).