6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C29H26N4O2 — CID 20939600

IUPAC6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NCCc2ccccc2)c2c(-c3ccccc3)[nH]nc2n1
InChIInChI=1S/C29H26N4O2/c1-2-35-25-16-10-9-15-22(25)24-19-23(29(34)30-18-17-20-11-5-3-6-12-20)26-27(32-33-28(26)31-24)21-13-7-4-8-14-21/h3-16,19H,2,17-18H2,1H3,(H,30,34)(H,31,32,33)
InChIKeyFXQMZXKYKXPPHQ-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.66
Rot. Bonds8

About 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 20939600) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID20939600
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC Name6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NCCc2ccccc2)c2c(-c3ccccc3)[nH]nc2n1
InChIInChI=1S/C29H26N4O2/c1-2-35-25-16-10-9-15-22(25)24-19-23(29(34)30-18-17-20-11-5-3-6-12-20)26-27(32-33-28(26)31-24)21-13-7-4-8-14-21/h3-16,19H,2,17-18H2,1H3,(H,30,34)(H,31,32,33)
InChIKeyFXQMZXKYKXPPHQ-UHFFFAOYSA-N
XLogP5.66
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide 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-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 20939600) is 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CCOc1ccccc1-c1cc(C(=O)NCCc2ccccc2)c2c(-c3ccccc3)[nH]nc2n1.
What is the InChIKey of 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is FXQMZXKYKXPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-2-35-25-16-10-9-15-22(25)24-19-23(29(34)30-18-17-20-11-5-3-6-12-20)26-27(32-33-28(26)31-24)21-13-7-4-8-14-21/h3-16,19H,2,17-18H2,1H3,(H,30,34)(H,31,32,33).
What are the key properties of 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 20939600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).