6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline

C197H158F22N66O5 — CID 158012332

IUPAC6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCCC(=O)Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.COCCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.COc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(C)c5)cc4c3F)n2n1.Cc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3F)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCC#N)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5cccnn45)cc3c2)cn1
InChIInChI=1S/C25H22F4N8O.C25H24F2N8O.C23H19F2N7O.C22H16F2N8.C22H19F2N7O.C21H17F2N7.C20H13F4N7.C20H15F2N7O.C19H13F2N7/c1-15-2-3-21-32-33-24(37(21)34-15)25(28,29)22-19(26)11-20-18(23(22)27)10-16(12-30-20)17-13-31-36(14-17)5-4-35-6-8-38-9-7-35;1-17-2-5-23-30-31-24(35(23)32-17)25(26,27)21-3-4-22-18(13-21)12-19(14-28-22)20-15-29-34(16-20)7-6-33-8-10-36-11-9-33;1-3-19(33)13-31-12-17(11-27-31)16-8-15-9-18(5-6-20(15)26-10-16)23(24,25)22-29-28-21-7-4-14(2)30-32(21)22;1-14-3-6-20-28-29-21(32(20)30-14)22(23,24)18-4-5-19-15(10-18)9-16(11-26-19)17-12-27-31(13-17)8-2-7-25;1-14-3-6-20-27-28-21(31(20)29-14)22(23,24)18-4-5-19-15(10-18)9-16(11-25-19)17-12-26-30(13-17)7-8-32-2;1-3-17-5-7-19-26-27-20(30(19)28-17)21(22,23)16-4-6-18-13(9-16)8-14(10-24-18)15-11-25-29(2)12-15;1-10-3-4-16-27-28-19(31(16)29-10)20(23,24)17-14(21)6-15-13(18(17)22)5-11(7-25-15)12-8-26-30(2)9-12;1-28-11-14(10-24-28)13-7-12-8-15(3-4-16(12)23-9-13)20(21,22)19-26-25-17-5-6-18(30-2)27-29(17)19;1-27-11-14(10-24-27)13-7-12-8-15(4-5-16(12)22-9-13)19(20,21)18-26-25-17-3-2-6-23-28(17)18/h2-3,10-14H,4-9H2,1H3;2-5,12-16H,6-11H2,1H3;4-12H,3,13H2,1-2H3;3-6,9-13H,2,8H2,1H3;3-6,9-13H,7-8H2,1-2H3;4-12H,3H2,1-2H3;3-9H,1-2H3;3-11H,1-2H3;2-11H,1H3
InChIKeyFFAUELHCXONHPS-UHFFFAOYSA-N
MW3947.84 g/mol
LogP32.41
Rot. Bonds43

About 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline

6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 158012332) has the molecular formula C197H158F22N66O5 and a molecular weight of 3947.84 g/mol. Its IUPAC name is 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID158012332
Molecular FormulaC197H158F22N66O5
Molecular Weight3947.84 g/mol
Exact Mass3945.38
IUPAC Name6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCCC(=O)Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.COCCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.COc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(C)c5)cc4c3F)n2n1.Cc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3F)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCC#N)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5cccnn45)cc3c2)cn1
InChIInChI=1S/C25H22F4N8O.C25H24F2N8O.C23H19F2N7O.C22H16F2N8.C22H19F2N7O.C21H17F2N7.C20H13F4N7.C20H15F2N7O.C19H13F2N7/c1-15-2-3-21-32-33-24(37(21)34-15)25(28,29)22-19(26)11-20-18(23(22)27)10-16(12-30-20)17-13-31-36(14-17)5-4-35-6-8-38-9-7-35;1-17-2-5-23-30-31-24(35(23)32-17)25(26,27)21-3-4-22-18(13-21)12-19(14-28-22)20-15-29-34(16-20)7-6-33-8-10-36-11-9-33;1-3-19(33)13-31-12-17(11-27-31)16-8-15-9-18(5-6-20(15)26-10-16)23(24,25)22-29-28-21-7-4-14(2)30-32(21)22;1-14-3-6-20-28-29-21(32(20)30-14)22(23,24)18-4-5-19-15(10-18)9-16(11-26-19)17-12-27-31(13-17)8-2-7-25;1-14-3-6-20-27-28-21(31(20)29-14)22(23,24)18-4-5-19-15(10-18)9-16(11-25-19)17-12-26-30(13-17)7-8-32-2;1-3-17-5-7-19-26-27-20(30(19)28-17)21(22,23)16-4-6-18-13(9-16)8-14(10-24-18)15-11-25-29(2)12-15;1-10-3-4-16-27-28-19(31(16)29-10)20(23,24)17-14(21)6-15-13(18(17)22)5-11(7-25-15)12-8-26-30(2)9-12;1-28-11-14(10-24-28)13-7-12-8-15(3-4-16(12)23-9-13)20(21,22)19-26-25-17-5-6-18(30-2)27-29(17)19;1-27-11-14(10-24-27)13-7-12-8-15(4-5-16(12)22-9-13)19(20,21)18-26-25-17-3-2-6-23-28(17)18/h2-3,10-14H,4-9H2,1H3;2-5,12-16H,6-11H2,1H3;4-12H,3,13H2,1-2H3;3-6,9-13H,2,8H2,1H3;3-6,9-13H,7-8H2,1-2H3;4-12H,3H2,1-2H3;3-9H,1-2H3;3-11H,1-2H3;2-11H,1H3
InChIKeyFFAUELHCXONHPS-UHFFFAOYSA-N
XLogP32.41
TPSA748.37 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds43
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003947.84
LogP ≤ 532.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

Analyze 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline (CID 158012332) is 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline is CCC(=O)Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.COCCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.COc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(C)c5)cc4c3F)n2n1.Cc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3F)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCC#N)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCOCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5cccnn45)cc3c2)cn1.
What is the InChIKey of 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is FFAUELHCXONHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N8O.C25H24F2N8O.C23H19F2N7O.C22H16F2N8.C22H19F2N7O.C21H17F2N7.C20H13F4N7.C20H15F2N7O.C19H13F2N7/c1-15-2-3-21-32-33-24(37(21)34-15)25(28,29)22-19(26)11-20-18(23(22)27)10-16(12-30-20)17-13-31-36(14-17)5-4-35-6-8-38-9-7-35;1-17-2-5-23-30-31-24(35(23)32-17)25(26,27)21-3-4-22-18(13-21)12-19(14-28-22)20-15-29-34(16-20)7-6-33-8-10-36-11-9-33;1-3-19(33)13-31-12-17(11-27-31)16-8-15-9-18(5-6-20(15)26-10-16)23(24,25)22-29-28-21-7-4-14(2)30-32(21)22;1-14-3-6-20-28-29-21(32(20)30-14)22(23,24)18-4-5-19-15(10-18)9-16(11-26-19)17-12-27-31(13-17)8-2-7-25;1-14-3-6-20-27-28-21(31(20)29-14)22(23,24)18-4-5-19-15(10-18)9-16(11-25-19)17-12-26-30(13-17)7-8-32-2;1-3-17-5-7-19-26-27-20(30(19)28-17)21(22,23)16-4-6-18-13(9-16)8-14(10-24-18)15-11-25-29(2)12-15;1-10-3-4-16-27-28-19(31(16)29-10)20(23,24)17-14(21)6-15-13(18(17)22)5-11(7-25-15)12-8-26-30(2)9-12;1-28-11-14(10-24-28)13-7-12-8-15(3-4-16(12)23-9-13)20(21,22)19-26-25-17-5-6-18(30-2)27-29(17)19;1-27-11-14(10-24-27)13-7-12-8-15(4-5-16(12)22-9-13)19(20,21)18-26-25-17-3-2-6-23-28(17)18/h2-3,10-14H,4-9H2,1H3;2-5,12-16H,6-11H2,1H3;4-12H,3,13H2,1-2H3;3-6,9-13H,2,8H2,1H3;3-6,9-13H,7-8H2,1-2H3;4-12H,3H2,1-2H3;3-9H,1-2H3;3-11H,1-2H3;2-11H,1H3.
What are the key properties of 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline?
6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 3947.84 g/mol, XLogP of 32.41, 43 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline;1-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]butan-2-one;4-[2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]ethyl]morpholine;3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]propanenitrile;6-[difluoro([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 158012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).