3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H13F6N5O2 — CID 153370720

IUPAC3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12
InChIInChI=1S/C17H13F6N5O2/c1-29-16(19,20)14-27-26-12-7-24-11(8-28(12)14)9-5-10(18)13(25-6-9)30-15(3-2-4-15)17(21,22)23/h5-8H,2-4H2,1H3
InChIKeyZLEKBBMUQLUEJP-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.88
Rot. Bonds5

About 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370720) has the molecular formula C17H13F6N5O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID153370720
Molecular FormulaC17H13F6N5O2
Molecular Weight433.31 g/mol
Exact Mass433.10
IUPAC Name3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12
InChIInChI=1S/C17H13F6N5O2/c1-29-16(19,20)14-27-26-12-7-24-11(8-28(12)14)9-5-10(18)13(25-6-9)30-15(3-2-4-15)17(21,22)23/h5-8H,2-4H2,1H3
InChIKeyZLEKBBMUQLUEJP-UHFFFAOYSA-N
XLogP3.88
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 118288233
CID 118288233
CID 122693993
CID 122693993
CID 147075611
CID 147075611
CID 11419123
CID 11419123
CID 46198694
CID 46198694
CID 52932517
CID 52932517
CID 53380383
CID 53380383
CID 66787433
CID 66787433
CID 68597804
CID 68597804
CID 71139180
CID 71139180
CID 87178559
CID 87178559
CID 71535106
CID 71535106

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370720) is 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is COC(F)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12.
What is the InChIKey of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ZLEKBBMUQLUEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O2/c1-29-16(19,20)14-27-26-12-7-24-11(8-28(12)14)9-5-10(18)13(25-6-9)30-15(3-2-4-15)17(21,22)23/h5-8H,2-4H2,1H3.
What are the key properties of 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 433.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methoxy)methyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).