N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide

C21H20N6O2 — CID 7205651

IUPACN'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H20N6O2/c1-13-4-9-18(14(2)10-13)27-20-17(11-24-27)19(22-12-23-20)25-26-21(28)15-5-7-16(29-3)8-6-15/h4-12H,1-3H3,(H,26,28)(H,22,23,25)
InChIKeyWDZVDHUSNGFQCO-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.20
Rot. Bonds5

About N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide

N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide (PubChem CID 7205651) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide
PubChem CID7205651
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1
InChIInChI=1S/C21H20N6O2/c1-13-4-9-18(14(2)10-13)27-20-17(11-24-27)19(22-12-23-20)25-26-21(28)15-5-7-16(29-3)8-6-15/h4-12H,1-3H3,(H,26,28)(H,22,23,25)
InChIKeyWDZVDHUSNGFQCO-UHFFFAOYSA-N
XLogP3.20
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide (CID 7205651) is N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1.
What is the InChIKey of N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide?
The InChIKey is WDZVDHUSNGFQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-4-9-18(14(2)10-13)27-20-17(11-24-27)19(22-12-23-20)25-26-21(28)15-5-7-16(29-3)8-6-15/h4-12H,1-3H3,(H,26,28)(H,22,23,25).
What are the key properties of N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide?
N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide has a molecular weight of 388.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 7205651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).