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

C16H12BrFN4O2 — CID 169267397

IUPAC6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOC(COc1cc(Br)cn2ncc(C#N)c12)c1ccc(F)cn1
InChIInChI=1S/C16H12BrFN4O2/c1-23-15(13-3-2-12(18)7-20-13)9-24-14-4-11(17)8-22-16(14)10(5-19)6-21-22/h2-4,6-8,15H,9H2,1H3
InChIKeyWDHDSOFBPSJUGD-UHFFFAOYSA-N
MW391.20 g/mol
LogP3.27
Rot. Bonds5

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

6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267397) has the molecular formula C16H12BrFN4O2 and a molecular weight of 391.20 g/mol. Its IUPAC name is 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267397
Molecular FormulaC16H12BrFN4O2
Molecular Weight391.20 g/mol
Exact Mass390.01
IUPAC Name6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOC(COc1cc(Br)cn2ncc(C#N)c12)c1ccc(F)cn1
InChIInChI=1S/C16H12BrFN4O2/c1-23-15(13-3-2-12(18)7-20-13)9-24-14-4-11(17)8-22-16(14)10(5-19)6-21-22/h2-4,6-8,15H,9H2,1H3
InChIKeyWDHDSOFBPSJUGD-UHFFFAOYSA-N
XLogP3.27
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267397) is 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COC(COc1cc(Br)cn2ncc(C#N)c12)c1ccc(F)cn1.
What is the InChIKey of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WDHDSOFBPSJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O2/c1-23-15(13-3-2-12(18)7-20-13)9-24-14-4-11(17)8-22-16(14)10(5-19)6-21-22/h2-4,6-8,15H,9H2,1H3.
What are the key properties of 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 391.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).