4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide

C21H16F2N4O3 — CID 118197886

IUPAC4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide
SMILESNC(=O)c1ccc(F)cc1.NC(=O)c1ccc(Oc2cccn3nccc23)c(F)c1
InChIInChI=1S/C14H10FN3O2.C7H6FNO/c15-10-8-9(14(16)19)3-4-12(10)20-13-2-1-7-18-11(13)5-6-17-18;8-6-3-1-5(2-4-6)7(9)10/h1-8H,(H2,16,19);1-4H,(H2,9,10)
InChIKeyHFEMLDKWHZZKPL-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.29
Rot. Bonds4

About 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide

4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide (PubChem CID 118197886) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide.

Molecular Properties

Compound Name4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide
PubChem CID118197886
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide
SMILESNC(=O)c1ccc(F)cc1.NC(=O)c1ccc(Oc2cccn3nccc23)c(F)c1
InChIInChI=1S/C14H10FN3O2.C7H6FNO/c15-10-8-9(14(16)19)3-4-12(10)20-13-2-1-7-18-11(13)5-6-17-18;8-6-3-1-5(2-4-6)7(9)10/h1-8H,(H2,16,19);1-4H,(H2,9,10)
InChIKeyHFEMLDKWHZZKPL-UHFFFAOYSA-N
XLogP3.29
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide?
The IUPAC name of 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide (CID 118197886) is 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide.
What is the SMILES notation for 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide?
The canonical SMILES for 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide is NC(=O)c1ccc(F)cc1.NC(=O)c1ccc(Oc2cccn3nccc23)c(F)c1.
What is the InChIKey of 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide?
The InChIKey is HFEMLDKWHZZKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2.C7H6FNO/c15-10-8-9(14(16)19)3-4-12(10)20-13-2-1-7-18-11(13)5-6-17-18;8-6-3-1-5(2-4-6)7(9)10/h1-8H,(H2,16,19);1-4H,(H2,9,10).
What are the key properties of 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide?
4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide has a molecular weight of 410.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzamide;3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxybenzamide is sourced from PubChem (CID 118197886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).