3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C126H133F24N35O14 — CID 159988130

IUPAC3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCO[C@@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.CCO[C@@H](C)c1nnc2cnc(-c3ccc(OC4(C(F)(F)F)CCC4)nc3)cn12.CCO[C@@H](C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCO[C@H](C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCO[C@H](C)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12.CO[C@@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.CO[C@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12
InChIInChI=1S/C19H19F4N5O2.C19H20F3N5O2.2C18H19F4N5O2.C18H20F3N5O2.2C17H18F3N5O2/c1-3-29-11(2)16-27-26-15-9-24-14(10-28(15)16)12-7-13(20)17(25-8-12)30-18(5-4-6-18)19(21,22)23;1-3-28-12(2)17-26-25-15-10-23-14(11-27(15)17)13-5-6-16(24-9-13)29-18(7-4-8-18)19(20,21)22;2*1-5-28-10(2)15-26-25-14-8-23-13(9-27(14)15)11-6-12(19)16(24-7-11)29-17(3,4)18(20,21)22;1-5-27-11(2)16-25-24-14-9-22-13(10-26(14)16)12-6-7-15(23-8-12)28-17(3,4)18(19,20)21;2*1-10(26-4)15-24-23-13-8-21-12(9-25(13)15)11-5-6-14(22-7-11)27-16(2,3)17(18,19)20/h7-11H,3-6H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;2*6-10H,5H2,1-4H3;6-11H,5H2,1-4H3;2*5-10H,1-4H3/t11-;12-;2*10-;11-;2*10-/m1010010/s1
InChIKeyOGPDWNHUVLOUOK-NQPADPPPSA-N
MW2817.63 g/mol
LogP27.95
Rot. Bonds40

About 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159988130) has the molecular formula C126H133F24N35O14 and a molecular weight of 2817.63 g/mol. Its IUPAC name is 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159988130
Molecular FormulaC126H133F24N35O14
Molecular Weight2817.63 g/mol
Exact Mass2816.04
IUPAC Name3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCO[C@@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.CCO[C@@H](C)c1nnc2cnc(-c3ccc(OC4(C(F)(F)F)CCC4)nc3)cn12.CCO[C@@H](C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCO[C@H](C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCO[C@H](C)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12.CO[C@@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.CO[C@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12
InChIInChI=1S/C19H19F4N5O2.C19H20F3N5O2.2C18H19F4N5O2.C18H20F3N5O2.2C17H18F3N5O2/c1-3-29-11(2)16-27-26-15-9-24-14(10-28(15)16)12-7-13(20)17(25-8-12)30-18(5-4-6-18)19(21,22)23;1-3-28-12(2)17-26-25-15-10-23-14(11-27(15)17)13-5-6-16(24-9-13)29-18(7-4-8-18)19(20,21)22;2*1-5-28-10(2)15-26-25-14-8-23-13(9-27(14)15)11-6-12(19)16(24-7-11)29-17(3,4)18(20,21)22;1-5-27-11(2)16-25-24-14-9-22-13(10-26(14)16)12-6-7-15(23-8-12)28-17(3,4)18(19,20)21;2*1-10(26-4)15-24-23-13-8-21-12(9-25(13)15)11-5-6-14(22-7-11)27-16(2,3)17(18,19)20/h7-11H,3-6H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;2*6-10H,5H2,1-4H3;6-11H,5H2,1-4H3;2*5-10H,1-4H3/t11-;12-;2*10-;11-;2*10-/m1010010/s1
InChIKeyOGPDWNHUVLOUOK-NQPADPPPSA-N
XLogP27.95
TPSA521.01 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds40
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.63
LogP ≤ 527.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
US20240043427, Example 666
CID 157033146
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
6-[5-Fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362320
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(3-fluoropropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362325
Ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362380
6-[6-(3,3-Difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362383
3-(4-Fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362399
3-(Difluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362421
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362426

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 159988130) is 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCO[C@@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.CCO[C@@H](C)c1nnc2cnc(-c3ccc(OC4(C(F)(F)F)CCC4)nc3)cn12.CCO[C@@H](C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCO[C@H](C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.CCO[C@H](C)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12.CO[C@@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.CO[C@H](C)c1nnc2cnc(-c3ccc(OC(C)(C)C(F)(F)F)nc3)cn12.
What is the InChIKey of 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is OGPDWNHUVLOUOK-NQPADPPPSA-N. The full InChI is InChI=1S/C19H19F4N5O2.C19H20F3N5O2.2C18H19F4N5O2.C18H20F3N5O2.2C17H18F3N5O2/c1-3-29-11(2)16-27-26-15-9-24-14(10-28(15)16)12-7-13(20)17(25-8-12)30-18(5-4-6-18)19(21,22)23;1-3-28-12(2)17-26-25-15-10-23-14(11-27(15)17)13-5-6-16(24-9-13)29-18(7-4-8-18)19(20,21)22;2*1-5-28-10(2)15-26-25-14-8-23-13(9-27(14)15)11-6-12(19)16(24-7-11)29-17(3,4)18(20,21)22;1-5-27-11(2)16-25-24-14-9-22-13(10-26(14)16)12-6-7-15(23-8-12)28-17(3,4)18(19,20)21;2*1-10(26-4)15-24-23-13-8-21-12(9-25(13)15)11-5-6-14(22-7-11)27-16(2,3)17(18,19)20/h7-11H,3-6H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;2*6-10H,5H2,1-4H3;6-11H,5H2,1-4H3;2*5-10H,1-4H3/t11-;12-;2*10-;11-;2*10-/m1010010/s1.
What are the key properties of 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2817.63 g/mol, XLogP of 27.95, 40 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-ethoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1R)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[(1S)-1-methoxyethyl]-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159988130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).