2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide

C21H20N6O2 — CID 1387730

IUPAC2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-3-7-16(8-4-14)27-21-18(12-24-27)20(22-13-23-21)26-25-19(28)11-15-5-9-17(29-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,25,28)(H,22,23,26)
InChIKeyFXJPCOOIORFZSQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide

2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide (PubChem CID 1387730) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide
PubChem CID1387730
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-3-7-16(8-4-14)27-21-18(12-24-27)20(22-13-23-21)26-25-19(28)11-15-5-9-17(29-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,25,28)(H,22,23,26)
InChIKeyFXJPCOOIORFZSQ-UHFFFAOYSA-N
XLogP2.82
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.82
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 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide (CID 1387730) is 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide is COc1ccc(CC(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide?
The InChIKey is FXJPCOOIORFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-3-7-16(8-4-14)27-21-18(12-24-27)20(22-13-23-21)26-25-19(28)11-15-5-9-17(29-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,25,28)(H,22,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide?
2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide has a molecular weight of 388.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide is sourced from PubChem (CID 1387730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).