4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide

C19H13FN4O — CID 126673065

IUPAC4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc3n[nH]c(-c4cccc(F)c4)c23)cc1
InChIInChI=1S/C19H13FN4O/c20-14-3-1-2-13(10-14)17-16-15(8-9-22-19(16)24-23-17)11-4-6-12(7-5-11)18(21)25/h1-10H,(H2,21,25)(H,22,23,24)
InChIKeyISTZUBIABIVHPY-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.53
Rot. Bonds3

About 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide

4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (PubChem CID 126673065) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
PubChem CID126673065
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc3n[nH]c(-c4cccc(F)c4)c23)cc1
InChIInChI=1S/C19H13FN4O/c20-14-3-1-2-13(10-14)17-16-15(8-9-22-19(16)24-23-17)11-4-6-12(7-5-11)18(21)25/h1-10H,(H2,21,25)(H,22,23,24)
InChIKeyISTZUBIABIVHPY-UHFFFAOYSA-N
XLogP3.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide 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 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (CID 126673065) is 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is NC(=O)c1ccc(-c2ccnc3n[nH]c(-c4cccc(F)c4)c23)cc1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The InChIKey is ISTZUBIABIVHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-14-3-1-2-13(10-14)17-16-15(8-9-22-19(16)24-23-17)11-4-6-12(7-5-11)18(21)25/h1-10H,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide has a molecular weight of 332.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 126673065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).