6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H9ClN8 — CID 130346081

IUPAC6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(-c3[nH]nc4ncc(Cl)cc34)nc21
InChIInChI=1S/C12H9ClN8/c1-21-12-7(4-16-21)9(14)17-11(18-12)8-6-2-5(13)3-15-10(6)20-19-8/h2-4H,1H3,(H2,14,17,18)(H,15,19,20)
InChIKeyVEBNFALIRJPPAJ-UHFFFAOYSA-N
MW300.71 g/mol
LogP1.54
Rot. Bonds1

About 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 130346081) has the molecular formula C12H9ClN8 and a molecular weight of 300.71 g/mol. Its IUPAC name is 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID130346081
Molecular FormulaC12H9ClN8
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N)nc(-c3[nH]nc4ncc(Cl)cc34)nc21
InChIInChI=1S/C12H9ClN8/c1-21-12-7(4-16-21)9(14)17-11(18-12)8-6-2-5(13)3-15-10(6)20-19-8/h2-4H,1H3,(H2,14,17,18)(H,15,19,20)
InChIKeyVEBNFALIRJPPAJ-UHFFFAOYSA-N
XLogP1.54
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 130346081) is 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N)nc(-c3[nH]nc4ncc(Cl)cc34)nc21.
What is the InChIKey of 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VEBNFALIRJPPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN8/c1-21-12-7(4-16-21)9(14)17-11(18-12)8-6-2-5(13)3-15-10(6)20-19-8/h2-4H,1H3,(H2,14,17,18)(H,15,19,20).
What are the key properties of 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 300.71 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 130346081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).