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

C19H13ClN4O — CID 135316324

IUPAC4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C19H13ClN4O/c20-14-7-5-12(6-8-14)17-16-15(9-10-22-19(16)24-23-17)11-1-3-13(4-2-11)18(21)25/h1-10H,(H2,21,25)(H,22,23,24)
InChIKeyLLOBXDIXLVAQPQ-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.04
Rot. Bonds3

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

4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (PubChem CID 135316324) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
PubChem CID135316324
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C19H13ClN4O/c20-14-7-5-12(6-8-14)17-16-15(9-10-22-19(16)24-23-17)11-1-3-13(4-2-11)18(21)25/h1-10H,(H2,21,25)(H,22,23,24)
InChIKeyLLOBXDIXLVAQPQ-UHFFFAOYSA-N
XLogP4.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (CID 135316324) is 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is NC(=O)c1ccc(-c2ccnc3n[nH]c(-c4ccc(Cl)cc4)c23)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The InChIKey is LLOBXDIXLVAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-14-7-5-12(6-8-14)17-16-15(9-10-22-19(16)24-23-17)11-1-3-13(4-2-11)18(21)25/h1-10H,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide has a molecular weight of 348.79 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 135316324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).