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

C17H14F5N5O2 — CID 153370773

IUPAC6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12
InChIInChI=1S/C17H14F5N5O2/c1-2-28-17(21,22)15-26-25-13-7-23-12(8-27(13)15)9-3-11(18)14(24-6-9)29-10-4-16(19,20)5-10/h3,6-8,10H,2,4-5H2,1H3
InChIKeyASMSJTVONQSSBT-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.59
Rot. Bonds6

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

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370773) has the molecular formula C17H14F5N5O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID153370773
Molecular FormulaC17H14F5N5O2
Molecular Weight415.32 g/mol
Exact Mass415.11
IUPAC Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12
InChIInChI=1S/C17H14F5N5O2/c1-2-28-17(21,22)15-26-25-13-7-23-12(8-27(13)15)9-3-11(18)14(24-6-9)29-10-4-16(19,20)5-10/h3,6-8,10H,2,4-5H2,1H3
InChIKeyASMSJTVONQSSBT-UHFFFAOYSA-N
XLogP3.59
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370773) is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.
What is the InChIKey of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is ASMSJTVONQSSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5O2/c1-2-28-17(21,22)15-26-25-13-7-23-12(8-27(13)15)9-3-11(18)14(24-6-9)29-10-4-16(19,20)5-10/h3,6-8,10H,2,4-5H2,1H3.
What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 415.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[ethoxy(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).