6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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

C33H26F10N10O4 — CID 153370772

IUPAC6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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
SMILESCCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12
InChIInChI=1S/C17H14F5N5O2.C16H12F5N5O2/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;1-27-16(20,21)14-25-24-12-6-22-11(7-26(12)14)8-2-10(17)13(23-5-8)28-9-3-15(18,19)4-9/h3,6-8,10H,2,4-5H2,1H3;2,5-7,9H,3-4H2,1H3
InChIKeyYZRMFXSDURCEFC-UHFFFAOYSA-N
MW816.62 g/mol
LogP6.79
Rot. Bonds11

About 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 153370772) has the molecular formula C33H26F10N10O4 and a molecular weight of 816.62 g/mol. Its IUPAC name is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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.

Molecular Properties

Compound Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 CID153370772
Molecular FormulaC33H26F10N10O4
Molecular Weight816.62 g/mol
Exact Mass816.20
IUPAC Name6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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
SMILESCCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12
InChIInChI=1S/C17H14F5N5O2.C16H12F5N5O2/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;1-27-16(20,21)14-25-24-12-6-22-11(7-26(12)14)8-2-10(17)13(23-5-8)28-9-3-15(18,19)4-9/h3,6-8,10H,2,4-5H2,1H3;2,5-7,9H,3-4H2,1H3
InChIKeyYZRMFXSDURCEFC-UHFFFAOYSA-N
XLogP6.79
TPSA148.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.62
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 with MolForge

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Related Compounds

Prax-562
CID 147075611
N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 90677029
US9670208, Example 113
CID 118209511
(S)-4-(5-(3-fluoro-4-(2-morpholinoethoxy)phenyl)pyrimidin-2-yl)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)morpholine
CID 118364799
US20230399342, Example 27
CID 170433480
US20230399342, Example 26
CID 170433779
N-[(4R)-3,3-difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170643324
WO2022090481, Example I-049
CID 164514178
WO2022090481, Example I-051
CID 164514179
6-[6-(3,3-Difluorocyclobutyl)oxy-5-fluoropyridin-3-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555491
2-Methoxy-5-[3-[1-(3-morpholin-4-ylpropyl)triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]pyridin-3-amine
CID 172456565
3-[4-(Difluoromethoxy)phenyl]-5-[[4-(difluoromethoxy)-2-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-a]pyrazine
CID 177654358

Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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?
The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 (CID 153370772) is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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.
What is the SMILES notation for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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?
The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 is CCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COC(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-[difluoro(methoxy)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?
The InChIKey is YZRMFXSDURCEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5O2.C16H12F5N5O2/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;1-27-16(20,21)14-25-24-12-6-22-11(7-26(12)14)8-2-10(17)13(23-5-8)28-9-3-15(18,19)4-9/h3,6-8,10H,2,4-5H2,1H3;2,5-7,9H,3-4H2,1H3.
What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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?
6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 816.62 g/mol, XLogP of 6.79, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-[difluoro(methoxy)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 is sourced from PubChem (CID 153370772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).