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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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).