3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C18H11F4N5O — CID 169107975

IUPAC3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFCc1nnc2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccn12
InChIInChI=1S/C18H11F4N5O/c19-10-15-26-25-14-9-11(5-8-27(14)15)16-17(24-7-6-23-16)28-13-3-1-12(2-4-13)18(20,21)22/h1-9H,10H2
InChIKeyLLULIQIYXWZUCQ-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.47
Rot. Bonds4

About 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 169107975) has the molecular formula C18H11F4N5O and a molecular weight of 389.31 g/mol. Its IUPAC name is 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID169107975
Molecular FormulaC18H11F4N5O
Molecular Weight389.31 g/mol
Exact Mass389.09
IUPAC Name3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFCc1nnc2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccn12
InChIInChI=1S/C18H11F4N5O/c19-10-15-26-25-14-9-11(5-8-27(14)15)16-17(24-7-6-23-16)28-13-3-1-12(2-4-13)18(20,21)22/h1-9H,10H2
InChIKeyLLULIQIYXWZUCQ-UHFFFAOYSA-N
XLogP4.47
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

2-fluoro-N-methylsulfanyl-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]aniline
CID 169108586
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-3H-quinazolin-4-one
CID 169108229
7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-1H-quinolin-4-one
CID 169108089
2-(4-ethenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108695
N-[2-fluoro-4-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]phenyl]methanesulfonamide
CID 169108748
2-(4-ethenylsulfinylphenyl)-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108802
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144561
[3-cyano-5-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-2-pyridinyl]methanesulfonamide
CID 169108288
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3696703
ethane;ethyl 7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 169108248
4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxybenzaldehyde
CID 150215382

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 169107975) is 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is FCc1nnc2cc(-c3nccnc3Oc3ccc(C(F)(F)F)cc3)ccn12.
What is the InChIKey of 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LLULIQIYXWZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O/c19-10-15-26-25-14-9-11(5-8-27(14)15)16-17(24-7-6-23-16)28-13-3-1-12(2-4-13)18(20,21)22/h1-9H,10H2.
What are the key properties of 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 389.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-7-[3-[4-(trifluoromethyl)phenoxy]pyrazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 169107975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).