3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline

C165H129F20N59 — CID 160567802

IUPAC3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
SMILESCCCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(C)c5)cc4c3F)n2n1.CCc1ccc2nnc(C(F)(F)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.CCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CN(C)c1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CNc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(N)nn45)cc3c2)cn1
InChIInChI=1S/C22H19F2N7.C21H15F4N7.C21H16F3N7.C21H18F2N8.C21H17F2N7.C20H14F3N7.C20H16F2N8.C19H14F2N8/c1-3-8-30-13-17(12-26-30)16-9-15-10-18(5-6-19(15)25-11-16)22(23,24)21-28-27-20-7-4-14(2)29-31(20)21;1-3-13-4-5-17-28-29-20(32(17)30-13)21(24,25)18-15(22)7-16-14(19(18)23)6-11(8-26-16)12-9-27-31(2)10-12;1-3-15-4-5-19-27-28-20(31(19)29-15)21(23,24)16-7-12-6-13(14-10-26-30(2)11-14)9-25-18(12)8-17(16)22;1-29(2)19-7-6-18-26-27-20(31(18)28-19)21(22,23)16-4-5-17-13(9-16)8-14(10-24-17)15-11-25-30(3)12-15;1-3-29-12-16(11-25-29)15-8-14-9-17(5-6-18(14)24-10-15)21(22,23)20-27-26-19-7-4-13(2)28-30(19)20;1-11-3-4-18-26-27-19(30(18)28-11)20(22,23)15-6-12-5-13(14-9-25-29(2)10-14)8-24-17(12)7-16(15)21;1-23-17-5-6-18-26-27-19(30(18)28-17)20(21,22)15-3-4-16-12(8-15)7-13(9-24-16)14-10-25-29(2)11-14;1-28-10-13(9-24-28)12-6-11-7-14(2-3-15(11)23-8-12)19(20,21)18-26-25-17-5-4-16(22)27-29(17)18/h4-7,9-13H,3,8H2,1-2H3;4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-12H,1-3H3;4-12H,3H2,1-2H3;3-10H,1-2H3;3-11H,1-2H3,(H,23,28);2-10H,1H3,(H2,22,27)
InChIKeyRADPTGXPOVQOPZ-UHFFFAOYSA-N
MW3318.22 g/mol
LogP29.36
Rot. Bonds31

About 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline

3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 160567802) has the molecular formula C165H129F20N59 and a molecular weight of 3318.22 g/mol. Its IUPAC name is 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID160567802
Molecular FormulaC165H129F20N59
Molecular Weight3318.22 g/mol
Exact Mass3316.16
IUPAC Name3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
SMILESCCCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(C)c5)cc4c3F)n2n1.CCc1ccc2nnc(C(F)(F)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.CCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CN(C)c1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CNc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(N)nn45)cc3c2)cn1
InChIInChI=1S/C22H19F2N7.C21H15F4N7.C21H16F3N7.C21H18F2N8.C21H17F2N7.C20H14F3N7.C20H16F2N8.C19H14F2N8/c1-3-8-30-13-17(12-26-30)16-9-15-10-18(5-6-19(15)25-11-16)22(23,24)21-28-27-20-7-4-14(2)29-31(20)21;1-3-13-4-5-17-28-29-20(32(17)30-13)21(24,25)18-15(22)7-16-14(19(18)23)6-11(8-26-16)12-9-27-31(2)10-12;1-3-15-4-5-19-27-28-20(31(19)29-15)21(23,24)16-7-12-6-13(14-10-26-30(2)11-14)9-25-18(12)8-17(16)22;1-29(2)19-7-6-18-26-27-20(31(18)28-19)21(22,23)16-4-5-17-13(9-16)8-14(10-24-17)15-11-25-30(3)12-15;1-3-29-12-16(11-25-29)15-8-14-9-17(5-6-18(14)24-10-15)21(22,23)20-27-26-19-7-4-13(2)28-30(19)20;1-11-3-4-18-26-27-19(30(18)28-11)20(22,23)15-6-12-5-13(14-9-25-29(2)10-14)8-24-17(12)7-16(15)21;1-23-17-5-6-18-26-27-19(30(18)28-17)20(21,22)15-3-4-16-12(8-15)7-13(9-24-16)14-10-25-29(2)11-14;1-28-10-13(9-24-28)12-6-11-7-14(2-3-15(11)23-8-12)19(20,21)18-26-25-17-5-4-16(22)27-29(17)18/h4-7,9-13H,3,8H2,1-2H3;4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-12H,1-3H3;4-12H,3H2,1-2H3;3-10H,1-2H3;3-11H,1-2H3,(H,23,28);2-10H,1H3,(H2,22,27)
InChIKeyRADPTGXPOVQOPZ-UHFFFAOYSA-N
XLogP29.36
TPSA631.61 Ų
H-Bond Donors2
H-Bond Acceptors59
Rotatable Bonds31
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003318.22
LogP ≤ 529.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1059

Analyze 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine
CID 146490642
6-[4-Amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-2-amine
CID 58514972
4-[6-(3-Fluoro-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 117602385
4-[6-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118875962
N-[(1S)-1-[7-fluoro-8-methyl-2-(4-pyridin-3-ylpiperazin-1-yl)quinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 49818791
N-[(1S)-1-[7-fluoro-8-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)quinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 49818944
N-[(1S)-1-[7-fluoro-8-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 49818946
N-[(1S)-1-[7-fluoro-8-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 49820547
N-[(1S)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-7-fluoro-8-methylquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 49820548

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline (CID 160567802) is 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline is CCCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(C(F)(F)c3c(F)cc4ncc(-c5cnn(C)c5)cc4c3F)n2n1.CCc1ccc2nnc(C(F)(F)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.CCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(C)nn45)cc3c2)cn1.CN(C)c1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CNc1ccc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(C(F)(F)c3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ccc(N)nn45)cc3c2)cn1.
What is the InChIKey of 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is RADPTGXPOVQOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7.C21H15F4N7.C21H16F3N7.C21H18F2N8.C21H17F2N7.C20H14F3N7.C20H16F2N8.C19H14F2N8/c1-3-8-30-13-17(12-26-30)16-9-15-10-18(5-6-19(15)25-11-16)22(23,24)21-28-27-20-7-4-14(2)29-31(20)21;1-3-13-4-5-17-28-29-20(32(17)30-13)21(24,25)18-15(22)7-16-14(19(18)23)6-11(8-26-16)12-9-27-31(2)10-12;1-3-15-4-5-19-27-28-20(31(19)29-15)21(23,24)16-7-12-6-13(14-10-26-30(2)11-14)9-25-18(12)8-17(16)22;1-29(2)19-7-6-18-26-27-20(31(18)28-19)21(22,23)16-4-5-17-13(9-16)8-14(10-24-17)15-11-25-30(3)12-15;1-3-29-12-16(11-25-29)15-8-14-9-17(5-6-18(14)24-10-15)21(22,23)20-27-26-19-7-4-13(2)28-30(19)20;1-11-3-4-18-26-27-19(30(18)28-11)20(22,23)15-6-12-5-13(14-9-25-29(2)10-14)8-24-17(12)7-16(15)21;1-23-17-5-6-18-26-27-19(30(18)28-17)20(21,22)15-3-4-16-12(8-15)7-13(9-24-16)14-10-25-29(2)11-14;1-28-10-13(9-24-28)12-6-11-7-14(2-3-15(11)23-8-12)19(20,21)18-26-25-17-5-4-16(22)27-29(17)18/h4-7,9-13H,3,8H2,1-2H3;4-10H,3H2,1-2H3;4-11H,3H2,1-2H3;4-12H,1-3H3;4-12H,3H2,1-2H3;3-10H,1-2H3;3-11H,1-2H3,(H,23,28);2-10H,1H3,(H2,22,27).
What are the key properties of 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 3318.22 g/mol, XLogP of 29.36, 31 rotatable bonds, 2 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 160567802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).