3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine

C19H16N4O — CID 164610621

IUPAC3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCOc1ccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)cc1
InChIInChI=1S/C19H16N4O/c1-24-16-9-7-13(8-10-16)18-17-11-15(12-20-19(17)23-22-18)21-14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,22,23)
InChIKeyMGAHZVJVMCCAOO-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.38
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine

3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 164610621) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID164610621
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCOc1ccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)cc1
InChIInChI=1S/C19H16N4O/c1-24-16-9-7-13(8-10-16)18-17-11-15(12-20-19(17)23-22-18)21-14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,22,23)
InChIKeyMGAHZVJVMCCAOO-UHFFFAOYSA-N
XLogP4.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-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 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine (CID 164610621) is 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine is COc1ccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is MGAHZVJVMCCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-16-9-7-13(8-10-16)18-17-11-15(12-20-19(17)23-22-18)21-14-5-3-2-4-6-14/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 316.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 164610621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).