N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide

C17H13N7O — CID 18851865

IUPACN'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccnc1
InChIInChI=1S/C17H13N7O/c25-17(12-5-4-8-18-9-12)23-22-15-14-10-21-24(16(14)20-11-19-15)13-6-2-1-3-7-13/h1-11H,(H,23,25)(H,19,20,22)
InChIKeyMEYCDTLPTAOXPO-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.97
Rot. Bonds4

About N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide

N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide (PubChem CID 18851865) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
PubChem CID18851865
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccnc1
InChIInChI=1S/C17H13N7O/c25-17(12-5-4-8-18-9-12)23-22-15-14-10-21-24(16(14)20-11-19-15)13-6-2-1-3-7-13/h1-11H,(H,23,25)(H,19,20,22)
InChIKeyMEYCDTLPTAOXPO-UHFFFAOYSA-N
XLogP1.97
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.97
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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Related Compounds

N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 8539111
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017298
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851857
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851863
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 17017695
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
N'-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 17017587
3,4-dimethoxy-N'-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017462

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide (CID 18851865) is N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide is O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccnc1.
What is the InChIKey of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide?
The InChIKey is MEYCDTLPTAOXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c25-17(12-5-4-8-18-9-12)23-22-15-14-10-21-24(16(14)20-11-19-15)13-6-2-1-3-7-13/h1-11H,(H,23,25)(H,19,20,22).
What are the key properties of N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide?
N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide has a molecular weight of 331.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 18851865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).