3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C128H105F37N40O16 — CID 157106431

IUPAC3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COCc1nnc2cc(C)c(-c3cnc(OCC(F)(F)F)c(F)c3)nn12.COCc1nnc2cc(C)c(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)nn12.COCc1nnc2cc(C)c(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)nn12.FC(F)(F)COc1ccc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cn1.Fc1cc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C17H14F5N5O2.C16H11F6N5O2.2C16H12F5N5O2.C16H13F4N5O2.2C16H15F4N5O2.C15H13F4N5O2/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;17-10-3-8(4-24-13(10)28-7-15(18,19)20)11-6-27-12(5-23-11)25-26-14(27)16(21,22)29-9-1-2-9;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;17-15(18,19)8-27-13-4-1-9(5-23-13)11-7-26-12(6-22-11)24-25-14(26)16(20,21)28-10-2-3-10;1-26-16(19,20)14-24-23-12-7-21-11(8-25(12)14)9-2-3-13(22-6-9)27-10-4-15(17,18)5-10;2*1-8-4-12-22-23-13(7-26-3)25(12)24-14(8)10-5-11(17)15(21-6-10)27-9(2)16(18,19)20;1-8-3-11-21-22-12(6-25-2)24(11)23-13(8)9-4-10(16)14(20-5-9)26-7-15(17,18)19/h3,6-8,10H,2,4-5H2,1H3;3-6,9H,1-2,7H2;2,5-7,9H,3-4H2,1H3;1,4-7,10H,2-3,8H2;2-3,6-8,10H,4-5H2,1H3;2*4-6,9H,7H2,1-3H3;3-5H,6-7H2,1-2H3/t;;;;;2*9-;/m.....10./s1
InChIKeyAGIUVPXOCYRZLJ-WSVBDHKHSA-N
MW3162.44 g/mol
LogP25.64
Rot. Bonds43

About 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine

3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 157106431) has the molecular formula C128H105F37N40O16 and a molecular weight of 3162.44 g/mol. Its IUPAC name is 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID157106431
Molecular FormulaC128H105F37N40O16
Molecular Weight3162.44 g/mol
Exact Mass3160.80
IUPAC Name3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COCc1nnc2cc(C)c(-c3cnc(OCC(F)(F)F)c(F)c3)nn12.COCc1nnc2cc(C)c(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)nn12.COCc1nnc2cc(C)c(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)nn12.FC(F)(F)COc1ccc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cn1.Fc1cc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C17H14F5N5O2.C16H11F6N5O2.2C16H12F5N5O2.C16H13F4N5O2.2C16H15F4N5O2.C15H13F4N5O2/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;17-10-3-8(4-24-13(10)28-7-15(18,19)20)11-6-27-12(5-23-11)25-26-14(27)16(21,22)29-9-1-2-9;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;17-15(18,19)8-27-13-4-1-9(5-23-13)11-7-26-12(6-22-11)24-25-14(26)16(20,21)28-10-2-3-10;1-26-16(19,20)14-24-23-12-7-21-11(8-25(12)14)9-2-3-13(22-6-9)27-10-4-15(17,18)5-10;2*1-8-4-12-22-23-13(7-26-3)25(12)24-14(8)10-5-11(17)15(21-6-10)27-9(2)16(18,19)20;1-8-3-11-21-22-12(6-25-2)24(11)23-13(8)9-4-10(16)14(20-5-9)26-7-15(17,18)19/h3,6-8,10H,2,4-5H2,1H3;3-6,9H,1-2,7H2;2,5-7,9H,3-4H2,1H3;1,4-7,10H,2-3,8H2;2-3,6-8,10H,4-5H2,1H3;2*4-6,9H,7H2,1-3H3;3-5H,6-7H2,1-2H3/t;;;;;2*9-;/m.....10./s1
InChIKeyAGIUVPXOCYRZLJ-WSVBDHKHSA-N
XLogP25.64
TPSA595.44 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds43
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003162.44
LogP ≤ 525.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 157106431) is 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine is CCOC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)nc3)cn12.COC(F)(F)c1nnc2cnc(-c3cnc(OC4CC(F)(F)C4)c(F)c3)cn12.COCc1nnc2cc(C)c(-c3cnc(OCC(F)(F)F)c(F)c3)nn12.COCc1nnc2cc(C)c(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)nn12.COCc1nnc2cc(C)c(-c3cnc(O[C@H](C)C(F)(F)F)c(F)c3)nn12.FC(F)(F)COc1ccc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cn1.Fc1cc(-c2cn3c(C(F)(F)OC4CC4)nnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AGIUVPXOCYRZLJ-WSVBDHKHSA-N. The full InChI is InChI=1S/C17H14F5N5O2.C16H11F6N5O2.2C16H12F5N5O2.C16H13F4N5O2.2C16H15F4N5O2.C15H13F4N5O2/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;17-10-3-8(4-24-13(10)28-7-15(18,19)20)11-6-27-12(5-23-11)25-26-14(27)16(21,22)29-9-1-2-9;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;17-15(18,19)8-27-13-4-1-9(5-23-13)11-7-26-12(6-22-11)24-25-14(26)16(20,21)28-10-2-3-10;1-26-16(19,20)14-24-23-12-7-21-11(8-25(12)14)9-2-3-13(22-6-9)27-10-4-15(17,18)5-10;2*1-8-4-12-22-23-13(7-26-3)25(12)24-14(8)10-5-11(17)15(21-6-10)27-9(2)16(18,19)20;1-8-3-11-21-22-12(6-25-2)24(11)23-13(8)9-4-10(16)14(20-5-9)26-7-15(17,18)19/h3,6-8,10H,2,4-5H2,1H3;3-6,9H,1-2,7H2;2,5-7,9H,3-4H2,1H3;1,4-7,10H,2-3,8H2;2-3,6-8,10H,4-5H2,1H3;2*4-6,9H,7H2,1-3H3;3-5H,6-7H2,1-2H3/t;;;;;2*9-;/m.....10./s1.
What are the key properties of 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 3162.44 g/mol, XLogP of 25.64, 43 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyloxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[cyclopropyloxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-3-(methoxymethyl)-7-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 157106431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).