6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C118H120F25N35O14 — CID 158566095

IUPAC6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12
InChIInChI=1S/C18H19F4N5O2.2C17H17F4N5O2.2C17H18F3N5O2.C16H15F4N5O2.C16H16F3N5O2/c1-16(2,28-5)15-26-25-13-8-23-12(9-27(13)15)10-6-11(19)14(24-7-10)29-17(3,4)18(20,21)22;2*1-9(17(19,20)21)28-14-11(18)5-10(6-23-14)12-8-26-13(7-22-12)24-25-15(26)16(2,3)27-4;2*1-10(17(18,19)20)27-14-6-5-11(7-22-14)12-9-25-13(8-21-12)23-24-15(25)16(2,3)26-4;1-15(2,26-3)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20;1-15(2,25-3)14-23-22-12-7-20-11(8-24(12)14)10-4-5-13(21-6-10)26-9-16(17,18)19/h6-9H,1-5H3;2*5-9H,1-4H3;2*5-10H,1-4H3;4-7H,8H2,1-3H3;4-8H,9H2,1-3H3/t;2*9-;2*10-;;/m.1010../s1
InChIKeyHRMLJGGRRMZKMY-NCEZMAOCSA-N
MW2727.44 g/mol
LogP23.95
Rot. Bonds35

About 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158566095) has the molecular formula C118H120F25N35O14 and a molecular weight of 2727.44 g/mol. Its IUPAC name is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID158566095
Molecular FormulaC118H120F25N35O14
Molecular Weight2727.44 g/mol
Exact Mass2725.94
IUPAC Name6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12
InChIInChI=1S/C18H19F4N5O2.2C17H17F4N5O2.2C17H18F3N5O2.C16H15F4N5O2.C16H16F3N5O2/c1-16(2,28-5)15-26-25-13-8-23-12(9-27(13)15)10-6-11(19)14(24-7-10)29-17(3,4)18(20,21)22;2*1-9(17(19,20)21)28-14-11(18)5-10(6-23-14)12-8-26-13(7-22-12)24-25-15(26)16(2,3)27-4;2*1-10(17(18,19)20)27-14-6-5-11(7-22-14)12-9-25-13(8-21-12)23-24-15(25)16(2,3)26-4;1-15(2,26-3)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20;1-15(2,25-3)14-23-22-12-7-20-11(8-24(12)14)10-4-5-13(21-6-10)26-9-16(17,18)19/h6-9H,1-5H3;2*5-9H,1-4H3;2*5-10H,1-4H3;4-7H,8H2,1-3H3;4-8H,9H2,1-3H3/t;2*9-;2*10-;;/m.1010../s1
InChIKeyHRMLJGGRRMZKMY-NCEZMAOCSA-N
XLogP23.95
TPSA521.01 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002727.44
LogP ≤ 523.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

Prax-562
CID 147075611
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
WO2022090481, Example I-172
CID 163273356
WO2022090481, Example I-224
CID 163273529
WO2022090481, Example I-167
CID 163273625
US20240043427, Example 666
CID 157033146
5-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 172875495
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
2-[2-(6-Fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 126557455

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 158566095) is 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)(C)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3ccc(O[C@@H](C)C(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3ccc(O[C@H](C)C(F)(F)F)nc3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.COC(C)(C)c1nnc2cnc(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)cn12.
What is the InChIKey of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HRMLJGGRRMZKMY-NCEZMAOCSA-N. The full InChI is InChI=1S/C18H19F4N5O2.2C17H17F4N5O2.2C17H18F3N5O2.C16H15F4N5O2.C16H16F3N5O2/c1-16(2,28-5)15-26-25-13-8-23-12(9-27(13)15)10-6-11(19)14(24-7-10)29-17(3,4)18(20,21)22;2*1-9(17(19,20)21)28-14-11(18)5-10(6-23-14)12-8-26-13(7-22-12)24-25-15(26)16(2,3)27-4;2*1-10(17(18,19)20)27-14-6-5-11(7-22-14)12-9-25-13(8-21-12)23-24-15(25)16(2,3)26-4;1-15(2,26-3)14-24-23-12-6-21-11(7-25(12)14)9-4-10(17)13(22-5-9)27-8-16(18,19)20;1-15(2,25-3)14-23-22-12-7-20-11(8-24(12)14)10-4-5-13(21-6-10)26-9-16(17,18)19/h6-9H,1-5H3;2*5-9H,1-4H3;2*5-10H,1-4H3;4-7H,8H2,1-3H3;4-8H,9H2,1-3H3/t;2*9-;2*10-;;/m.1010../s1.
What are the key properties of 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2727.44 g/mol, XLogP of 23.95, 35 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(2-methoxypropan-2-yl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158566095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).