2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C23H17F3N6O — CID 23648677

IUPAC2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccn4n3)cc2)n1
InChIInChI=1S/C23H17F3N6O/c24-23(25,26)15-31-13-19(16-8-10-27-11-9-16)22(30-31)17-4-6-18(7-5-17)33-14-20-28-21-3-1-2-12-32(21)29-20/h1-13H,14-15H2
InChIKeyDKCDTGKIRSCMTL-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.80
Rot. Bonds6

About 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 23648677) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID23648677
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC Name2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccn4n3)cc2)n1
InChIInChI=1S/C23H17F3N6O/c24-23(25,26)15-31-13-19(16-8-10-27-11-9-16)22(30-31)17-4-6-18(7-5-17)33-14-20-28-21-3-1-2-12-32(21)29-20/h1-13H,14-15H2
InChIKeyDKCDTGKIRSCMTL-UHFFFAOYSA-N
XLogP4.80
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 23648677) is 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccn4n3)cc2)n1.
What is the InChIKey of 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DKCDTGKIRSCMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c24-23(25,26)15-31-13-19(16-8-10-27-11-9-16)22(30-31)17-4-6-18(7-5-17)33-14-20-28-21-3-1-2-12-32(21)29-20/h1-13H,14-15H2.
What are the key properties of 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 450.42 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 23648677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).