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

C19H16N4O — CID 164617305

IUPAC3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCOc1cccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)c1
InChIInChI=1S/C19H16N4O/c1-24-16-9-5-6-13(10-16)18-17-11-15(12-20-19(17)23-22-18)21-14-7-3-2-4-8-14/h2-12,21H,1H3,(H,20,22,23)
InChIKeyGKMMMXOMBMNEKU-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.38
Rot. Bonds4

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

3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 164617305) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID164617305
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCOc1cccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)c1
InChIInChI=1S/C19H16N4O/c1-24-16-9-5-6-13(10-16)18-17-11-15(12-20-19(17)23-22-18)21-14-7-3-2-4-8-14/h2-12,21H,1H3,(H,20,22,23)
InChIKeyGKMMMXOMBMNEKU-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-(3-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-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine (CID 164617305) is 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine is COc1cccc(-c2[nH]nc3ncc(Nc4ccccc4)cc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is GKMMMXOMBMNEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-16-9-5-6-13(10-16)18-17-11-15(12-20-19(17)23-22-18)21-14-7-3-2-4-8-14/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of 3-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine?
3-(3-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-(3-methoxyphenyl)-N-phenyl-2H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 164617305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).