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

C17H11Cl2N7O — CID 8539111

IUPACN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccnc1
InChIInChI=1S/C17H11Cl2N7O/c18-13-4-3-11(6-14(13)19)26-16-12(8-23-26)15(21-9-22-16)24-25-17(27)10-2-1-5-20-7-10/h1-9H,(H,25,27)(H,21,22,24)
InChIKeyIIOWCMRKFULBBL-UHFFFAOYSA-N
MW400.23 g/mol
LogP3.27
Rot. Bonds4

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

N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 8539111) has the molecular formula C17H11Cl2N7O and a molecular weight of 400.23 g/mol. Its IUPAC name is N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID8539111
Molecular FormulaC17H11Cl2N7O
Molecular Weight400.23 g/mol
Exact Mass399.04
IUPAC NameN'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccnc1
InChIInChI=1S/C17H11Cl2N7O/c18-13-4-3-11(6-14(13)19)26-16-12(8-23-26)15(21-9-22-16)24-25-17(27)10-2-1-5-20-7-10/h1-9H,(H,25,27)(H,21,22,24)
InChIKeyIIOWCMRKFULBBL-UHFFFAOYSA-N
XLogP3.27
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 53.27
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-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyridine-3-carbohydrazide
CID 18851865
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851863
N'-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-hydroxybenzohydrazide
CID 18851857
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 17017695
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarbohydrazide
CID 7205652
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]butanehydrazide
CID 18851852
1-[4-[[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 17017551
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 18851822
3,4-dimethoxy-N'-[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017462
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 8539111) is N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide is O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccnc1.
What is the InChIKey of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is IIOWCMRKFULBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N7O/c18-13-4-3-11(6-14(13)19)26-16-12(8-23-26)15(21-9-22-16)24-25-17(27)10-2-1-5-20-7-10/h1-9H,(H,25,27)(H,21,22,24).
What are the key properties of N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 400.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 8539111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).