1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone

C16H12BrFN2O2 — CID 155777830

IUPAC1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(F)nn2cc(OCc3ccccc3)cc(Br)c12
InChIInChI=1S/C16H12BrFN2O2/c1-10(21)14-15-13(17)7-12(8-20(15)19-16(14)18)22-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyPOTSXVUSCMYEMD-UHFFFAOYSA-N
MW363.19 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone

1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone (PubChem CID 155777830) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
PubChem CID155777830
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(F)nn2cc(OCc3ccccc3)cc(Br)c12
InChIInChI=1S/C16H12BrFN2O2/c1-10(21)14-15-13(17)7-12(8-20(15)19-16(14)18)22-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyPOTSXVUSCMYEMD-UHFFFAOYSA-N
XLogP4.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309589
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175864824
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863188
1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
CID 157299083
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone (CID 155777830) is 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone is CC(=O)c1c(F)nn2cc(OCc3ccccc3)cc(Br)c12.
What is the InChIKey of 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone?
The InChIKey is POTSXVUSCMYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c1-10(21)14-15-13(17)7-12(8-20(15)19-16(14)18)22-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone?
1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone has a molecular weight of 363.19 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 155777830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).