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

C₁₉H₁₆N₄O — CID 164610621

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 Name: 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
• PubChem CID: 164610621
• Molecular Formula: C₁₉H₁₆N₄O
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.13
• IUPAC Name: 3-(4-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
• SMILES: COc1ccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)cc1
• InChI: 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)
• InChIKey: MGAHZVJVMCCAOO-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

Sources

• PubChem CID 164610621 — identifiers, structure, computed properties (public domain)

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