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

C16H10BrF3N4O — CID 169267664

IUPAC6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cc(Br)cn2ncc(C#N)c12)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H10BrF3N4O/c1-9(10-2-12(7-22-5-10)16(18,19)20)25-14-3-13(17)8-24-15(14)11(4-21)6-23-24/h2-3,5-9H,1H3
InChIKeyQRHKQVICKQFQEM-UHFFFAOYSA-N
MW411.18 g/mol
LogP4.52
Rot. Bonds3

About 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267664) has the molecular formula C16H10BrF3N4O and a molecular weight of 411.18 g/mol. Its IUPAC name is 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267664
Molecular FormulaC16H10BrF3N4O
Molecular Weight411.18 g/mol
Exact Mass410.00
IUPAC Name6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(Oc1cc(Br)cn2ncc(C#N)c12)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H10BrF3N4O/c1-9(10-2-12(7-22-5-10)16(18,19)20)25-14-3-13(17)8-24-15(14)11(4-21)6-23-24/h2-3,5-9H,1H3
InChIKeyQRHKQVICKQFQEM-UHFFFAOYSA-N
XLogP4.52
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267664) is 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(Oc1cc(Br)cn2ncc(C#N)c12)c1cncc(C(F)(F)F)c1.
What is the InChIKey of 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QRHKQVICKQFQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N4O/c1-9(10-2-12(7-22-5-10)16(18,19)20)25-14-3-13(17)8-24-15(14)11(4-21)6-23-24/h2-3,5-9H,1H3.
What are the key properties of 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 411.18 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).