6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

C13H11ClFN5 — CID 164844282

IUPAC6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCc1cccc(Nc2nc3n[nH]c(N)c3cc2F)c1Cl
InChIInChI=1S/C13H11ClFN5/c1-6-3-2-4-9(10(6)14)17-13-8(15)5-7-11(16)19-20-12(7)18-13/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKeyKGXVBHLNMZWBRP-UHFFFAOYSA-N
MW291.72 g/mol
LogP3.38
Rot. Bonds2

About 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine

6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (PubChem CID 164844282) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
PubChem CID164844282
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC Name6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine
SMILESCc1cccc(Nc2nc3n[nH]c(N)c3cc2F)c1Cl
InChIInChI=1S/C13H11ClFN5/c1-6-3-2-4-9(10(6)14)17-13-8(15)5-7-11(16)19-20-12(7)18-13/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKeyKGXVBHLNMZWBRP-UHFFFAOYSA-N
XLogP3.38
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine 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-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The IUPAC name of 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine (CID 164844282) is 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The canonical SMILES for 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is Cc1cccc(Nc2nc3n[nH]c(N)c3cc2F)c1Cl.
What is the InChIKey of 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
The InChIKey is KGXVBHLNMZWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-6-3-2-4-9(10(6)14)17-13-8(15)5-7-11(16)19-20-12(7)18-13/h2-5H,1H3,(H4,16,17,18,19,20).
What are the key properties of 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine?
6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine has a molecular weight of 291.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-3-methylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine is sourced from PubChem (CID 164844282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).