6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

C18H13ClN4 — CID 46206940

IUPAC6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc(-c3cccc(Cl)c3)cc(-c3ccccc3)c12
InChIInChI=1S/C18H13ClN4/c19-13-8-4-7-12(9-13)15-10-14(11-5-2-1-3-6-11)16-17(20)22-23-18(16)21-15/h1-10H,(H3,20,21,22,23)
InChIKeyFKPLKXSBTYSDQH-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.53
Rot. Bonds2

About 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 46206940) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID46206940
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc(-c3cccc(Cl)c3)cc(-c3ccccc3)c12
InChIInChI=1S/C18H13ClN4/c19-13-8-4-7-12(9-13)15-10-14(11-5-2-1-3-6-11)16-17(20)22-23-18(16)21-15/h1-10H,(H3,20,21,22,23)
InChIKeyFKPLKXSBTYSDQH-UHFFFAOYSA-N
XLogP4.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 143241962
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162072281
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135949024
6-(3-chlorophenyl)pyridin-2-amine
CID 61230327
2-[3-(3-chlorophenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 169004297
3-(6-chloro-4-phenylquinolin-2-yl)aniline
CID 8966018
3-(6-chloro-4-phenylquinolin-2-yl)aniline;hydrochloride
CID 18285323
6-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426563
8-(3-chlorophenyl)-4-methyl-10-phenyl-4,7-phenanthrolin-3-one
CID 135017230
2-(3-chlorophenyl)-6-methoxypyridin-4-amine
CID 105495492
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82296144

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 46206940) is 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nc(-c3cccc(Cl)c3)cc(-c3ccccc3)c12.
What is the InChIKey of 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is FKPLKXSBTYSDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c19-13-8-4-7-12(9-13)15-10-14(11-5-2-1-3-6-11)16-17(20)22-23-18(16)21-15/h1-10H,(H3,20,21,22,23).
What are the key properties of 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 320.78 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 46206940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).