3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane

C34H34F10N10O4 — CID 156747054

IUPAC3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane
SMILESCCC.COC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C(C)C)C(F)(F)F)nc3)cn12
InChIInChI=1S/C17H16F5N5O2.C14H10F5N5O2.C3H8/c1-9(2)14(16(18,19)20)29-13-5-4-10(6-24-13)11-8-27-12(7-23-11)25-26-15(27)17(21,22)28-3;1-25-14(18,19)12-23-22-10-5-20-9(6-24(10)12)8-2-3-11(21-4-8)26-7-13(15,16)17;1-3-2/h4-9,14H,1-3H3;2-6H,7H2,1H3;3H2,1-2H3/t14-;;/m0../s1
InChIKeyNGCUCZBIZCRGCM-UTLKBRERSA-N
MW836.69 g/mol
LogP8.09
Rot. Bonds11

About 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane

3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane (PubChem CID 156747054) has the molecular formula C34H34F10N10O4 and a molecular weight of 836.69 g/mol. Its IUPAC name is 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane.

Molecular Properties

Compound Name3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane
PubChem CID156747054
Molecular FormulaC34H34F10N10O4
Molecular Weight836.69 g/mol
Exact Mass836.26
IUPAC Name3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane
SMILESCCC.COC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C(C)C)C(F)(F)F)nc3)cn12
InChIInChI=1S/C17H16F5N5O2.C14H10F5N5O2.C3H8/c1-9(2)14(16(18,19)20)29-13-5-4-10(6-24-13)11-8-27-12(7-23-11)25-26-15(27)17(21,22)28-3;1-25-14(18,19)12-23-22-10-5-20-9(6-24(10)12)8-2-3-11(21-4-8)26-7-13(15,16)17;1-3-2/h4-9,14H,1-3H3;2-6H,7H2,1H3;3H2,1-2H3/t14-;;/m0../s1
InChIKeyNGCUCZBIZCRGCM-UTLKBRERSA-N
XLogP8.09
TPSA148.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.69
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
Prax-562
CID 147075611
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)oxy]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66551309
4-[2-Methyl-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139180
4-(5-(6-(1H-Tetrazol-5-yl)pyridin-3-yl)-2-((quinolin-2-yloxy)methyl)imidazo[1,2-a]pyrazin-8-yl)morpholine
CID 86345940
WO2022090481, Example I-030
CID 164514170
N-(3-fluoro-2-pyridinyl)-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 90677029

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?
The IUPAC name of 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane (CID 156747054) is 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane.
What is the SMILES notation for 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?
The canonical SMILES for 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane is CCC.COC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C(C)C)C(F)(F)F)nc3)cn12.
What is the InChIKey of 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?
The InChIKey is NGCUCZBIZCRGCM-UTLKBRERSA-N. The full InChI is InChI=1S/C17H16F5N5O2.C14H10F5N5O2.C3H8/c1-9(2)14(16(18,19)20)29-13-5-4-10(6-24-13)11-8-27-12(7-23-11)25-26-15(27)17(21,22)28-3;1-25-14(18,19)12-23-22-10-5-20-9(6-24(10)12)8-2-3-11(21-4-8)26-7-13(15,16)17;1-3-2/h4-9,14H,1-3H3;2-6H,7H2,1H3;3H2,1-2H3/t14-;;/m0../s1.
What are the key properties of 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?
3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane has a molecular weight of 836.69 g/mol, XLogP of 8.09, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methoxy)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[difluoro(methoxy)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane is sourced from PubChem (CID 156747054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).