3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C34H36F6N10O4 — CID 156747045

IUPAC3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(C)F)nc3)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(C)F)nc3)cn12
InChIInChI=1S/2C17H18F3N5O2/c2*1-4-26-17(19,20)16-24-23-14-8-21-13(9-25(14)16)12-5-6-15(22-7-12)27-11(3)10(2)18/h2*5-11H,4H2,1-3H3/t2*10?,11-/m10/s1
InChIKeyONYONCFLFQSREY-URIZOGIISA-N
MW762.72 g/mol
LogP6.79
Rot. Bonds14

About 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156747045) has the molecular formula C34H36F6N10O4 and a molecular weight of 762.72 g/mol. Its IUPAC name is 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID156747045
Molecular FormulaC34H36F6N10O4
Molecular Weight762.72 g/mol
Exact Mass762.28
IUPAC Name3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(C)F)nc3)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(C)F)nc3)cn12
InChIInChI=1S/2C17H18F3N5O2/c2*1-4-26-17(19,20)16-24-23-14-8-21-13(9-25(14)16)12-5-6-15(22-7-12)27-11(3)10(2)18/h2*5-11H,4H2,1-3H3/t2*10?,11-/m10/s1
InChIKeyONYONCFLFQSREY-URIZOGIISA-N
XLogP6.79
TPSA148.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.72
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
Prax-562
CID 147075611
Tyk2-IN-14
CID 138560421
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 38
CID 118288258
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)oxy]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66551309

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 156747045) is 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C)C(C)F)nc3)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@H](C)C(C)F)nc3)cn12.
What is the InChIKey of 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ONYONCFLFQSREY-URIZOGIISA-N. The full InChI is InChI=1S/2C17H18F3N5O2/c2*1-4-26-17(19,20)16-24-23-14-8-21-13(9-25(14)16)12-5-6-15(22-7-12)27-11(3)10(2)18/h2*5-11H,4H2,1-3H3/t2*10?,11-/m10/s1.
What are the key properties of 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 762.72 g/mol, XLogP of 6.79, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2R)-3-fluorobutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 156747045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).