5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

C13H12N4 — CID 118712699

IUPAC5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cnc2n[nH]c(N)c2c1-c1ccccc1
InChIInChI=1S/C13H12N4/c1-8-7-15-13-11(12(14)16-17-13)10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyAFZSLQHJZTZVIJ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.52
Rot. Bonds1

About 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 118712699) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID118712699
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1cnc2n[nH]c(N)c2c1-c1ccccc1
InChIInChI=1S/C13H12N4/c1-8-7-15-13-11(12(14)16-17-13)10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,14,15,16,17)
InChIKeyAFZSLQHJZTZVIJ-UHFFFAOYSA-N
XLogP2.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 118712699) is 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is Cc1cnc2n[nH]c(N)c2c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is AFZSLQHJZTZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-7-15-13-11(12(14)16-17-13)10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H3,14,15,16,17).
What are the key properties of 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 118712699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).