4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide

C20H15FN4O — CID 134327566

IUPAC4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1
InChIInChI=1S/C20H15FN4O/c1-22-20(26)13-8-6-12(7-9-13)18-19-17(24-25-18)11-10-16(23-19)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,26)(H,24,25)
InChIKeyNCCGZTJZERNCLE-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.79
Rot. Bonds3

About 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide

4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide (PubChem CID 134327566) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide
PubChem CID134327566
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1
InChIInChI=1S/C20H15FN4O/c1-22-20(26)13-8-6-12(7-9-13)18-19-17(24-25-18)11-10-16(23-19)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,26)(H,24,25)
InChIKeyNCCGZTJZERNCLE-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide (CID 134327566) is 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide?
The InChIKey is NCCGZTJZERNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-22-20(26)13-8-6-12(7-9-13)18-19-17(24-25-18)11-10-16(23-19)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide?
4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide has a molecular weight of 346.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 134327566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).