N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

C21H25N5O3 — CID 35803935

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc3cnn(C(C)C)c3nc2C)c1
InChIInChI=1S/C21H25N5O3/c1-12(2)26-20-16(10-22-26)9-17(15(5)23-20)21(28)25-24-19(27)11-29-18-8-13(3)6-7-14(18)4/h6-10,12H,11H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKODZTFMQHHLWFZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.78
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (PubChem CID 35803935) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
PubChem CID35803935
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)c2cc3cnn(C(C)C)c3nc2C)c1
InChIInChI=1S/C21H25N5O3/c1-12(2)26-20-16(10-22-26)9-17(15(5)23-20)21(28)25-24-19(27)11-29-18-8-13(3)6-7-14(18)4/h6-10,12H,11H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKODZTFMQHHLWFZ-UHFFFAOYSA-N
XLogP2.78
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
6-methyl-N'-(4-nitrobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 134031476
N'-[2-(2,5-dimethylphenoxy)acetyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 35819941
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120604207
6-methyl-1-propan-2-yl-N-(3-quinolin-8-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 56585762
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 35819656

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide (CID 35803935) is N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc3cnn(C(C)C)c3nc2C)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
The InChIKey is KODZTFMQHHLWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-12(2)26-20-16(10-22-26)9-17(15(5)23-20)21(28)25-24-19(27)11-29-18-8-13(3)6-7-14(18)4/h6-10,12H,11H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide has a molecular weight of 395.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide is sourced from PubChem (CID 35803935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).