4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C16H11BrFN3O2 — CID 175864824

IUPAC4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(COc2cc(Br)c3c(C#N)c(F)nn3c2)cc1
InChIInChI=1S/C16H11BrFN3O2/c1-22-11-4-2-10(3-5-11)9-23-12-6-14(17)15-13(7-19)16(18)20-21(15)8-12/h2-6,8H,9H2,1H3
InChIKeyVEVAYLNZZARRPO-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.70
Rot. Bonds4

About 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 175864824) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID175864824
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(COc2cc(Br)c3c(C#N)c(F)nn3c2)cc1
InChIInChI=1S/C16H11BrFN3O2/c1-22-11-4-2-10(3-5-11)9-23-12-6-14(17)15-13(7-19)16(18)20-21(15)8-12/h2-6,8H,9H2,1H3
InChIKeyVEVAYLNZZARRPO-UHFFFAOYSA-N
XLogP3.70
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309589
1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 155777830
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
5-[(4-methoxyphenyl)methoxy]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 1478632
5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
CID 59548291
5-bromo-4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carbonitrile
CID 163208906
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 175864824) is 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(COc2cc(Br)c3c(C#N)c(F)nn3c2)cc1.
What is the InChIKey of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VEVAYLNZZARRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c1-22-11-4-2-10(3-5-11)9-23-12-6-14(17)15-13(7-19)16(18)20-21(15)8-12/h2-6,8H,9H2,1H3.
What are the key properties of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 376.19 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175864824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).