2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C22H20N6O2 — CID 135497928

IUPAC2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)c1O
InChIInChI=1S/C22H20N6O2/c1-15-11-18(16-7-4-3-5-8-16)28(27-15)21-12-20(23-14-24-21)26-25-13-17-9-6-10-19(30-2)22(17)29/h3-14,29H,1-2H3,(H,23,24,26)/b25-13+
InChIKeyGEDOTHCIFYYXNL-DHRITJCHSA-N
MW400.44 g/mol
LogP3.80
Rot. Bonds6

About 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135497928) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135497928
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)c1O
InChIInChI=1S/C22H20N6O2/c1-15-11-18(16-7-4-3-5-8-16)28(27-15)21-12-20(23-14-24-21)26-25-13-17-9-6-10-19(30-2)22(17)29/h3-14,29H,1-2H3,(H,23,24,26)/b25-13+
InChIKeyGEDOTHCIFYYXNL-DHRITJCHSA-N
XLogP3.80
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
N'-(2-hydroxy-3-methoxybenzylidene)-4,6-diphenyl-2-pyrimidinecarbohydrazide
CID 135425007
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
2-methoxy-4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]phenol
CID 90928973
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
4-[(E)-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene}methyl]-2-ethoxyphenol
CID 135641513
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3797260

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 135497928) is 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is COc1cccc(/C=N/Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is GEDOTHCIFYYXNL-DHRITJCHSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-11-18(16-7-4-3-5-8-16)28(27-15)21-12-20(23-14-24-21)26-25-13-17-9-6-10-19(30-2)22(17)29/h3-14,29H,1-2H3,(H,23,24,26)/b25-13+.
What are the key properties of 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 400.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135497928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).