N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide

C158H133ClF7N25O20S5 — CID 159339652

IUPACN-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
SMILESCCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cn4c(-c5ccc(Cl)cc5)cnc4cn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncc(-c5ccc(C(F)(F)F)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncc(-c5ccc(F)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nnc(-c5ccc(C)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cn4c(-c5ccc(C(F)(F)F)cc5)cnc4cn3)cc12
InChIInChI=1S/C32H27ClN4O4S.2C32H26F3N5O4S.C31H26FN5O4S.C31H28N6O4S/c1-5-28(38)31-24-14-23(25-18-37-27(16-35-30(37)17-34-25)20-10-12-22(33)13-11-20)26(36(3)42(4,39)40)15-29(24)41-32(31)21-8-6-19(2)7-9-21;1-18-5-7-20(8-6-18)30-29(31(41)36-2)23-13-22(25(14-27(23)44-30)39(3)45(4,42)43)24-17-40-26(15-38-28(40)16-37-24)19-9-11-21(12-10-19)32(33,34)35;1-18-5-7-20(8-6-18)30-29(31(41)36-2)23-15-22(25(16-27(23)44-30)39(3)45(4,42)43)24-13-14-28-37-17-26(40(28)38-24)19-9-11-21(12-10-19)32(33,34)35;1-18-5-7-20(8-6-18)30-29(31(38)33-2)23-15-22(25(16-27(23)41-30)36(3)42(4,39)40)24-13-14-28-34-17-26(37(28)35-24)19-9-11-21(32)12-10-19;1-18-6-10-20(11-7-18)29-28(31(38)32-3)23-16-22(25(17-26(23)41-29)36(4)42(5,39)40)24-14-15-27-33-34-30(37(27)35-24)21-12-8-19(2)9-13-21/h6-18H,5H2,1-4H3;2*5-17H,1-4H3,(H,36,41);5-17H,1-4H3,(H,33,38);6-17H,1-5H3,(H,32,38)
InChIKeyLFZBLNPOTMSSFT-UHFFFAOYSA-N
MW3030.73 g/mol
LogP31.47
Rot. Bonds31

About N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide

N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide (PubChem CID 159339652) has the molecular formula C158H133ClF7N25O20S5 and a molecular weight of 3030.73 g/mol. Its IUPAC name is N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
PubChem CID159339652
Molecular FormulaC158H133ClF7N25O20S5
Molecular Weight3030.73 g/mol
Exact Mass3027.83
IUPAC NameN-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
SMILESCCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cn4c(-c5ccc(Cl)cc5)cnc4cn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncc(-c5ccc(C(F)(F)F)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncc(-c5ccc(F)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nnc(-c5ccc(C)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cn4c(-c5ccc(C(F)(F)F)cc5)cnc4cn3)cc12
InChIInChI=1S/C32H27ClN4O4S.2C32H26F3N5O4S.C31H26FN5O4S.C31H28N6O4S/c1-5-28(38)31-24-14-23(25-18-37-27(16-35-30(37)17-34-25)20-10-12-22(33)13-11-20)26(36(3)42(4,39)40)15-29(24)41-32(31)21-8-6-19(2)7-9-21;1-18-5-7-20(8-6-18)30-29(31(41)36-2)23-13-22(25(14-27(23)44-30)39(3)45(4,42)43)24-17-40-26(15-38-28(40)16-37-24)19-9-11-21(12-10-19)32(33,34)35;1-18-5-7-20(8-6-18)30-29(31(41)36-2)23-15-22(25(16-27(23)44-30)39(3)45(4,42)43)24-13-14-28-37-17-26(40(28)38-24)19-9-11-21(12-10-19)32(33,34)35;1-18-5-7-20(8-6-18)30-29(31(38)33-2)23-15-22(25(16-27(23)41-30)36(3)42(4,39)40)24-13-14-28-34-17-26(37(28)35-24)19-9-11-21(32)12-10-19;1-18-6-10-20(11-7-18)29-28(31(38)32-3)23-16-22(25(17-26(23)41-29)36(4)42(5,39)40)24-14-15-27-33-34-30(37(27)35-24)21-12-8-19(2)9-13-21/h6-18H,5H2,1-4H3;2*5-17H,1-4H3,(H,36,41);5-17H,1-4H3,(H,33,38);6-17H,1-5H3,(H,32,38)
InChIKeyLFZBLNPOTMSSFT-UHFFFAOYSA-N
XLogP31.47
TPSA549.91 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003030.73
LogP ≤ 531.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)-5-(3-(4-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)benzofuran-3-carboxamide
CID 71295603
5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510315
2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510316
CID 89428971
CID 89428971
2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89435943
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
CID 118341041
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(4-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
CID 118346175
5-[(3R)-1-(5-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121348580
2-[6-[[15-fluoro-4-[2-(4-fluoro-2-methylphenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-13-yl]methyl]-3-pyridinyl]-5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123316711
5-[15-fluoro-13-[[1-[5-(15-fluoro-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-2-yl]-1,2,4-triazol-3-yl]methyl]-3,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-4-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123670537
5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 126602746
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
CID 126602749

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide (CID 159339652) is N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide is CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cn4c(-c5ccc(Cl)cc5)cnc4cn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncc(-c5ccc(C(F)(F)F)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncc(-c5ccc(F)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nnc(-c5ccc(C)cc5)n4n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cn4c(-c5ccc(C(F)(F)F)cc5)cnc4cn3)cc12.
What is the InChIKey of N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide?
The InChIKey is LFZBLNPOTMSSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN4O4S.2C32H26F3N5O4S.C31H26FN5O4S.C31H28N6O4S/c1-5-28(38)31-24-14-23(25-18-37-27(16-35-30(37)17-34-25)20-10-12-22(33)13-11-20)26(36(3)42(4,39)40)15-29(24)41-32(31)21-8-6-19(2)7-9-21;1-18-5-7-20(8-6-18)30-29(31(41)36-2)23-13-22(25(14-27(23)44-30)39(3)45(4,42)43)24-17-40-26(15-38-28(40)16-37-24)19-9-11-21(12-10-19)32(33,34)35;1-18-5-7-20(8-6-18)30-29(31(41)36-2)23-15-22(25(16-27(23)44-30)39(3)45(4,42)43)24-13-14-28-37-17-26(40(28)38-24)19-9-11-21(12-10-19)32(33,34)35;1-18-5-7-20(8-6-18)30-29(31(38)33-2)23-15-22(25(16-27(23)41-30)36(3)42(4,39)40)24-13-14-28-34-17-26(37(28)35-24)19-9-11-21(32)12-10-19;1-18-6-10-20(11-7-18)29-28(31(38)32-3)23-16-22(25(17-26(23)41-29)36(4)42(5,39)40)24-14-15-27-33-34-30(37(27)35-24)21-12-8-19(2)9-13-21/h6-18H,5H2,1-4H3;2*5-17H,1-4H3,(H,36,41);5-17H,1-4H3,(H,33,38);6-17H,1-5H3,(H,32,38).
What are the key properties of N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide?
N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide has a molecular weight of 3030.73 g/mol, XLogP of 31.47, 31 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-chlorophenyl)imidazo[1,2-a]pyrazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-[3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159339652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).