6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

C66H52F16N16O4 — CID 159350131

IUPAC6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3C)cn12
InChIInChI=1S/2C17H14F4N4O.2C16H12F4N4O/c2*1-9-5-10(12-6-16(12,18)19)3-4-11(9)13-8-25-14(7-22-13)23-24-15(25)17(20,21)26-2;2*1-25-16(19,20)14-23-22-13-7-21-12(8-24(13)14)10-4-2-9(3-5-10)11-6-15(11,17)18/h2*3-5,7-8,12H,6H2,1-2H3;2*2-5,7-8,11H,6H2,1H3/t2*12-;2*11-/m1010/s1
InChIKeyLHFIUHCFVUOHRO-NTAKGHNSSA-N
MW1437.22 g/mol
LogP15.06
Rot. Bonds16

About 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159350131) has the molecular formula C66H52F16N16O4 and a molecular weight of 1437.22 g/mol. Its IUPAC name is 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159350131
Molecular FormulaC66H52F16N16O4
Molecular Weight1437.22 g/mol
Exact Mass1436.41
IUPAC Name6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(F)(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3C)cn12
InChIInChI=1S/2C17H14F4N4O.2C16H12F4N4O/c2*1-9-5-10(12-6-16(12,18)19)3-4-11(9)13-8-25-14(7-22-13)23-24-15(25)17(20,21)26-2;2*1-25-16(19,20)14-23-22-13-7-21-12(8-24(13)14)10-4-2-9(3-5-10)11-6-15(11,17)18/h2*3-5,7-8,12H,6H2,1-2H3;2*2-5,7-8,11H,6H2,1H3/t2*12-;2*11-/m1010/s1
InChIKeyLHFIUHCFVUOHRO-NTAKGHNSSA-N
XLogP15.06
TPSA209.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.22
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

5-[1-[3-[7-[3-[1-(3,3-Difluoro-2,2-dimethylpropyl)pyrazol-4-yl]-5-fluoropyridin-2-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]-2,2-dimethylpropyl]pyrazol-4-yl]-6-[2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-2-carbonitrile
CID 137389998
6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 156438820
6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 156438822
6-[4-(2,2-Difluorocyclopropyl)-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 156438860
Tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157220125
3-(Cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 157501973
2-[3-(1,3-Dimethylimidazol-1-ium-4-yl)-4,6-difluoro-2-methylphenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2,4,6-trimethylphenyl]-1-methylpyridin-1-ium;2-[3-(1,2-dimethylpyrazol-1-ium-3-yl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 158118537
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 158802539
3-[2-[(3R,5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158873545
[6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol;4-[[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol;4-[[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 158996209
(8R)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159373478
3-Cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine;2-[6-[3-ethyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
CID 159384059

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 159350131) is 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is COC(F)(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@@H]4CC4(F)F)cc3C)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc([C@H]4CC4(F)F)cc3C)cn12.
What is the InChIKey of 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LHFIUHCFVUOHRO-NTAKGHNSSA-N. The full InChI is InChI=1S/2C17H14F4N4O.2C16H12F4N4O/c2*1-9-5-10(12-6-16(12,18)19)3-4-11(9)13-8-25-14(7-22-13)23-24-15(25)17(20,21)26-2;2*1-25-16(19,20)14-23-22-13-7-21-12(8-24(13)14)10-4-2-9(3-5-10)11-6-15(11,17)18/h2*3-5,7-8,12H,6H2,1-2H3;2*2-5,7-8,11H,6H2,1H3/t2*12-;2*11-/m1010/s1.
What are the key properties of 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1437.22 g/mol, XLogP of 15.06, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-[(1S)-2,2-difluorocyclopropyl]phenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159350131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).