1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine

C21H21N5O — CID 10451088

IUPAC1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine
SMILESCOc1ccc(CNNc2ccnc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C21H21N5O/c1-15-20-19(24-23-14-16-8-10-18(27-2)11-9-16)12-13-22-21(20)26(25-15)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H,22,24)
InChIKeyVZXGLWHIKBLKOC-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.85
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine

1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine (PubChem CID 10451088) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine
PubChem CID10451088
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine
SMILESCOc1ccc(CNNc2ccnc3c2c(C)nn3-c2ccccc2)cc1
InChIInChI=1S/C21H21N5O/c1-15-20-19(24-23-14-16-8-10-18(27-2)11-9-16)12-13-22-21(20)26(25-15)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H,22,24)
InChIKeyVZXGLWHIKBLKOC-UHFFFAOYSA-N
XLogP3.85
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.85
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

1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine
CID 10022281
1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 71150273
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 50791329
N-(3,4-difluorophenyl)-4-[(4-methoxyphenyl)methylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46382665
19-(4-methoxyphenyl)-14-methyl-16-phenyl-15,16,18-triazatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene
CID 53472994
N-[(4-methoxyphenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
CID 53195758
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913551
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-diphenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50799254
[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]thiourea
CID 10862088
3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride
CID 71933914
N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692712

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine (CID 10451088) is 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine is COc1ccc(CNNc2ccnc3c2c(C)nn3-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine?
The InChIKey is VZXGLWHIKBLKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-20-19(24-23-14-16-8-10-18(27-2)11-9-16)12-13-22-21(20)26(25-15)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H,22,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine?
1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine has a molecular weight of 359.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine is sourced from PubChem (CID 10451088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).