4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C16H11F3N4O — CID 175797220

IUPAC4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cccn2ncc(C#N)c12)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N4O/c1-10(11-5-13(9-21-7-11)16(17,18)19)24-14-3-2-4-23-15(14)12(6-20)8-22-23/h2-5,7-10H,1H3
InChIKeyIOYAPRMGYCQGMO-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.76
Rot. Bonds3

About 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 175797220) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID175797220
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cccn2ncc(C#N)c12)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N4O/c1-10(11-5-13(9-21-7-11)16(17,18)19)24-14-3-2-4-23-15(14)12(6-20)8-22-23/h2-5,7-10H,1H3
InChIKeyIOYAPRMGYCQGMO-UHFFFAOYSA-N
XLogP3.76
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 175797220) is 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(Oc1cccn2ncc(C#N)c12)c1cncc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IOYAPRMGYCQGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c1-10(11-5-13(9-21-7-11)16(17,18)19)24-14-3-2-4-23-15(14)12(6-20)8-22-23/h2-5,7-10H,1H3.
What are the key properties of 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 332.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175797220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).