N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H21N5O2 — CID 162649286

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C/c3ccccc3O)c12
InChIInChI=1S/C27H21N5O2/c1-18-25-22(27(34)30-28-17-20-12-8-9-15-24(20)33)16-23(19-10-4-2-5-11-19)29-26(25)32(31-18)21-13-6-3-7-14-21/h2-17,33H,1H3,(H,30,34)/b28-17+
InChIKeyQZOUKHNSINHPRS-OGLMXYFKSA-N
MW447.50 g/mol
LogP4.87
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 162649286) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID162649286
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C/c3ccccc3O)c12
InChIInChI=1S/C27H21N5O2/c1-18-25-22(27(34)30-28-17-20-12-8-9-15-24(20)33)16-23(19-10-4-2-5-11-19)29-26(25)32(31-18)21-13-6-3-7-14-21/h2-17,33H,1H3,(H,30,34)/b28-17+
InChIKeyQZOUKHNSINHPRS-OGLMXYFKSA-N
XLogP4.87
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pik-294
CID 24905149
3-((4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-8-methyl-2-o-tolylisoquinolin-1(2H)-one
CID 58008590
(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 16259746
(2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 901814
N-(3-hydroxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1050350
(2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 1211941
(5-fluoro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 4884005
5-[[6-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57400211
Desmethyl-DPA-713
CID 135948779
6-(4-Methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazide
CID 4603691
6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 15988335
N-benzyl-6-(2-methoxyphenyl)-3-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16033391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 162649286) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C/c3ccccc3O)c12.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QZOUKHNSINHPRS-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-18-25-22(27(34)30-28-17-20-12-8-9-15-24(20)33)16-23(19-10-4-2-5-11-19)29-26(25)32(31-18)21-13-6-3-7-14-21/h2-17,33H,1H3,(H,30,34)/b28-17+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 162649286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).