6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine

C14H13ClN4 — CID 22756857

IUPAC6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine
SMILESCNc1cc(-c2ccc(Cl)cc2)nc2nn(C)cc12
InChIInChI=1S/C14H13ClN4/c1-16-13-7-12(9-3-5-10(15)6-4-9)17-14-11(13)8-19(2)18-14/h3-8,16H,1-2H3
InChIKeyGIVNNIMJBIFQRZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.33
Rot. Bonds2

About 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine

6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 22756857) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID22756857
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine
SMILESCNc1cc(-c2ccc(Cl)cc2)nc2nn(C)cc12
InChIInChI=1S/C14H13ClN4/c1-16-13-7-12(9-3-5-10(15)6-4-9)17-14-11(13)8-19(2)18-14/h3-8,16H,1-2H3
InChIKeyGIVNNIMJBIFQRZ-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine (CID 22756857) is 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine is CNc1cc(-c2ccc(Cl)cc2)nc2nn(C)cc12.
What is the InChIKey of 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is GIVNNIMJBIFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-16-13-7-12(9-3-5-10(15)6-4-9)17-14-11(13)8-19(2)18-14/h3-8,16H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine?
6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N,2-dimethylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 22756857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).