[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate

C21H16FN3O2 — CID 21027440

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H16FN3O2/c1-14(26)27-13-18-3-2-4-19-20(15-9-11-23-12-10-15)21(24-25(18)19)16-5-7-17(22)8-6-16/h2-12H,13H2,1H3
InChIKeyXUUBMNAYYOQZQO-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.27
Rot. Bonds4

About [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate (PubChem CID 21027440) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate
PubChem CID21027440
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H16FN3O2/c1-14(26)27-13-18-3-2-4-19-20(15-9-11-23-12-10-15)21(24-25(18)19)16-5-7-17(22)8-6-16/h2-12H,13H2,1H3
InChIKeyXUUBMNAYYOQZQO-UHFFFAOYSA-N
XLogP4.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate (CID 21027440) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate is CC(=O)OCc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The InChIKey is XUUBMNAYYOQZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-14(26)27-13-18-3-2-4-19-20(15-9-11-23-12-10-15)21(24-25(18)19)16-5-7-17(22)8-6-16/h2-12H,13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate has a molecular weight of 361.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate is sourced from PubChem (CID 21027440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).