N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide

C18H14ClN7O — CID 18851822

IUPACN'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccncc3)ncnc21
InChIInChI=1S/C18H14ClN7O/c1-11-2-3-13(19)8-15(11)26-17-14(9-23-26)16(21-10-22-17)24-25-18(27)12-4-6-20-7-5-12/h2-10H,1H3,(H,25,27)(H,21,22,24)
InChIKeyFDBHYYMCQLIAJI-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.93
Rot. Bonds4

About N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide

N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide (PubChem CID 18851822) has the molecular formula C18H14ClN7O and a molecular weight of 379.81 g/mol. Its IUPAC name is N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide
PubChem CID18851822
Molecular FormulaC18H14ClN7O
Molecular Weight379.81 g/mol
Exact Mass379.09
IUPAC NameN'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide
SMILESCc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccncc3)ncnc21
InChIInChI=1S/C18H14ClN7O/c1-11-2-3-13(19)8-15(11)26-17-14(9-23-26)16(21-10-22-17)24-25-18(27)12-4-6-20-7-5-12/h2-10H,1H3,(H,25,27)(H,21,22,24)
InChIKeyFDBHYYMCQLIAJI-UHFFFAOYSA-N
XLogP2.93
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.93
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

4-tert-butyl-N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017416
2,4-dichloro-N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 16801333
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide
CID 18851836
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 8539064
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2,2-dimethylpropanehydrazide
CID 8539031
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 18851811
[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 4737111
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 17017695
N'-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzohydrazide
CID 17017298
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]pyridine-3-carbohydrazide
CID 8539111
N'-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dimethoxybenzohydrazide
CID 8538979

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide (CID 18851822) is N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide is Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccncc3)ncnc21.
What is the InChIKey of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide?
The InChIKey is FDBHYYMCQLIAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O/c1-11-2-3-13(19)8-15(11)26-17-14(9-23-26)16(21-10-22-17)24-25-18(27)12-4-6-20-7-5-12/h2-10H,1H3,(H,25,27)(H,21,22,24).
What are the key properties of N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide?
N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide has a molecular weight of 379.81 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]pyridine-4-carbohydrazide is sourced from PubChem (CID 18851822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).