3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile

C167H131F5N54 — CID 160959883

IUPAC3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile
SMILESCc1ccc2nnc(Cc3ccc4ncc(-c5cc(F)cc(F)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cccc(C#N)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cn[nH]c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cncnc5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-n5cccn5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(Cc4nnc5ccc(C(F)(F)F)nn45)cc3c2)cn1
InChIInChI=1S/C24H24N8.C23H16N6.C22H15F2N5.C20H14F3N7.C20H17N7.C20H15N7.2C19H15N7/c1-16-2-5-23-28-29-24(32(23)30-16)11-17-3-4-22-18(10-17)12-19(13-26-22)20-14-27-31(15-20)21-6-8-25-9-7-21;1-15-5-8-22-26-27-23(29(22)28-15)11-16-6-7-21-19(9-16)12-20(14-25-21)18-4-2-3-17(10-18)13-24;1-13-2-5-21-26-27-22(29(21)28-13)7-14-3-4-20-16(6-14)8-17(12-25-20)15-9-18(23)11-19(24)10-15;1-29-11-15(10-25-29)14-8-13-6-12(2-3-16(13)24-9-14)7-19-27-26-18-5-4-17(20(21,22)23)28-30(18)19;1-13-3-6-19-23-24-20(27(19)25-13)8-14-4-5-18-15(7-14)9-16(10-21-18)17-11-22-26(2)12-17;1-13-2-5-19-24-25-20(27(19)26-13)7-14-3-4-18-15(6-14)8-16(11-23-18)17-9-21-12-22-10-17;1-13-3-6-18-22-23-19(26(18)24-13)10-14-4-5-17-15(9-14)11-16(12-20-17)25-8-2-7-21-25;1-12-2-5-18-23-24-19(26(18)25-12)7-13-3-4-17-14(6-13)8-15(9-20-17)16-10-21-22-11-16/h2-5,10,12-15,21,25H,6-9,11H2,1H3;2-10,12,14H,11H2,1H3;2-6,8-12H,7H2,1H3;2-6,8-11H,7H2,1H3;3-7,9-12H,8H2,1-2H3;2-6,8-12H,7H2,1H3;2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3,(H,21,22)
InChIKeySWWKJFQAMUGYGP-UHFFFAOYSA-N
MW2989.25 g/mol
LogP27.39
Rot. Bonds25

About 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile

3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile (PubChem CID 160959883) has the molecular formula C167H131F5N54 and a molecular weight of 2989.25 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile
PubChem CID160959883
Molecular FormulaC167H131F5N54
Molecular Weight2989.25 g/mol
Exact Mass2987.18
IUPAC Name3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile
SMILESCc1ccc2nnc(Cc3ccc4ncc(-c5cc(F)cc(F)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cccc(C#N)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cn[nH]c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cncnc5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-n5cccn5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(Cc4nnc5ccc(C(F)(F)F)nn45)cc3c2)cn1
InChIInChI=1S/C24H24N8.C23H16N6.C22H15F2N5.C20H14F3N7.C20H17N7.C20H15N7.2C19H15N7/c1-16-2-5-23-28-29-24(32(23)30-16)11-17-3-4-22-18(10-17)12-19(13-26-22)20-14-27-31(15-20)21-6-8-25-9-7-21;1-15-5-8-22-26-27-23(29(22)28-15)11-16-6-7-21-19(9-16)12-20(14-25-21)18-4-2-3-17(10-18)13-24;1-13-2-5-21-26-27-22(29(21)28-13)7-14-3-4-20-16(6-14)8-17(12-25-20)15-9-18(23)11-19(24)10-15;1-29-11-15(10-25-29)14-8-13-6-12(2-3-16(13)24-9-14)7-19-27-26-18-5-4-17(20(21,22)23)28-30(18)19;1-13-3-6-19-23-24-20(27(19)25-13)8-14-4-5-18-15(7-14)9-16(10-21-18)17-11-22-26(2)12-17;1-13-2-5-19-24-25-20(27(19)26-13)7-14-3-4-18-15(6-14)8-16(11-23-18)17-9-21-12-22-10-17;1-13-3-6-18-22-23-19(26(18)24-13)10-14-4-5-17-15(9-14)11-16(12-20-17)25-8-2-7-21-25;1-12-2-5-18-23-24-19(26(18)25-12)7-13-3-4-17-14(6-13)8-15(9-20-17)16-10-21-22-11-16/h2-5,10,12-15,21,25H,6-9,11H2,1H3;2-10,12,14H,11H2,1H3;2-6,8-12H,7H2,1H3;2-6,8-11H,7H2,1H3;3-7,9-12H,8H2,1-2H3;2-6,8-12H,7H2,1H3;2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3,(H,21,22)
InChIKeySWWKJFQAMUGYGP-UHFFFAOYSA-N
XLogP27.39
TPSA609.32 Ų
H-Bond Donors2
H-Bond Acceptors53
Rotatable Bonds25
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002989.25
LogP ≤ 527.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1053

Analyze 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
7-[4-[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,6-difluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837300
7-[2,6-difluoro-4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837301

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile?
The IUPAC name of 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile (CID 160959883) is 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile.
What is the SMILES notation for 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile?
The canonical SMILES for 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile is Cc1ccc2nnc(Cc3ccc4ncc(-c5cc(F)cc(F)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cccc(C#N)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cn[nH]c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cncnc5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C6CCNCC6)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-n5cccn5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(Cc4nnc5ccc(C(F)(F)F)nn45)cc3c2)cn1.
What is the InChIKey of 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile?
The InChIKey is SWWKJFQAMUGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8.C23H16N6.C22H15F2N5.C20H14F3N7.C20H17N7.C20H15N7.2C19H15N7/c1-16-2-5-23-28-29-24(32(23)30-16)11-17-3-4-22-18(10-17)12-19(13-26-22)20-14-27-31(15-20)21-6-8-25-9-7-21;1-15-5-8-22-26-27-23(29(22)28-15)11-16-6-7-21-19(9-16)12-20(14-25-21)18-4-2-3-17(10-18)13-24;1-13-2-5-21-26-27-22(29(21)28-13)7-14-3-4-20-16(6-14)8-17(12-25-20)15-9-18(23)11-19(24)10-15;1-29-11-15(10-25-29)14-8-13-6-12(2-3-16(13)24-9-14)7-19-27-26-18-5-4-17(20(21,22)23)28-30(18)19;1-13-3-6-19-23-24-20(27(19)25-13)8-14-4-5-18-15(7-14)9-16(10-21-18)17-11-22-26(2)12-17;1-13-2-5-19-24-25-20(27(19)26-13)7-14-3-4-18-15(6-14)8-16(11-23-18)17-9-21-12-22-10-17;1-13-3-6-18-22-23-19(26(18)24-13)10-14-4-5-17-15(9-14)11-16(12-20-17)25-8-2-7-21-25;1-12-2-5-18-23-24-19(26(18)25-12)7-13-3-4-17-14(6-13)8-15(9-20-17)16-10-21-22-11-16/h2-5,10,12-15,21,25H,6-9,11H2,1H3;2-10,12,14H,11H2,1H3;2-6,8-12H,7H2,1H3;2-6,8-11H,7H2,1H3;3-7,9-12H,8H2,1-2H3;2-6,8-12H,7H2,1H3;2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3,(H,21,22).
What are the key properties of 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile?
3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile has a molecular weight of 2989.25 g/mol, XLogP of 27.39, 25 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-(1-methylpyrazol-4-yl)-6-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrazol-1-ylquinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1H-pyrazol-4-yl)quinoline;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyrimidin-5-ylquinoline;3-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile is sourced from PubChem (CID 160959883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).