5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide

C183H153F3N30O32S6 — CID 159963964

IUPAC5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)cc(C(F)(F)F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)cc(OC)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccnc(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5ncccc5o4)c3)cc12
InChIInChI=1S/C31H24F3N5O5S.2C31H27N5O6S.3C30H25N5O5S/c1-16-7-9-17(10-8-16)27-26(29(40)35-2)20-14-19(22(15-24(20)43-27)39(3)45(4,41)42)21-12-18(13-25(37-21)31(32,33)34)30-38-28-23(44-30)6-5-11-36-28;1-17-8-10-18(11-9-17)27-26(29(37)32-2)21-14-20(23(15-25(21)41-27)36(3)43(5,38)39)19-13-22(30(40-4)34-16-19)31-35-28-24(42-31)7-6-12-33-28;1-17-8-10-18(11-9-17)28-27(30(37)32-2)21-15-20(23(16-25(21)41-28)36(3)43(5,38)39)22-13-19(14-26(34-22)40-4)31-35-29-24(42-31)7-6-12-33-29;1-17-7-9-18(10-8-17)27-26(29(36)31-2)21-15-20(23(16-25(21)39-27)35(3)41(4,37)38)22-14-19(11-13-32-22)30-34-28-24(40-30)6-5-12-33-28;1-17-7-9-18(10-8-17)27-26(29(36)31-2)21-15-20(23(16-25(21)39-27)35(3)41(4,37)38)19-11-13-32-22(14-19)30-34-28-24(40-30)6-5-12-33-28;1-17-7-9-18(10-8-17)27-26(29(36)31-2)22-13-21(23(14-25(22)39-27)35(3)41(4,37)38)19-12-20(16-32-15-19)30-34-28-24(40-30)6-5-11-33-28/h5-15H,1-4H3,(H,35,40);2*6-16H,1-5H3,(H,32,37);3*5-16H,1-4H3,(H,31,36)
InChIKeyODRMEIVWNDUXNU-UHFFFAOYSA-N
MW3533.81 g/mol
LogP33.61
Rot. Bonds38

About 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide

5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide (PubChem CID 159963964) has the molecular formula C183H153F3N30O32S6 and a molecular weight of 3533.81 g/mol. Its IUPAC name is 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide
PubChem CID159963964
Molecular FormulaC183H153F3N30O32S6
Molecular Weight3533.81 g/mol
Exact Mass3530.95
IUPAC Name5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)cc(C(F)(F)F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)cc(OC)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccnc(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5ncccc5o4)c3)cc12
InChIInChI=1S/C31H24F3N5O5S.2C31H27N5O6S.3C30H25N5O5S/c1-16-7-9-17(10-8-16)27-26(29(40)35-2)20-14-19(22(15-24(20)43-27)39(3)45(4,41)42)21-12-18(13-25(37-21)31(32,33)34)30-38-28-23(44-30)6-5-11-36-28;1-17-8-10-18(11-9-17)27-26(29(37)32-2)21-14-20(23(15-25(21)41-27)36(3)43(5,38)39)19-13-22(30(40-4)34-16-19)31-35-28-24(42-31)7-6-12-33-28;1-17-8-10-18(11-9-17)28-27(30(37)32-2)21-15-20(23(16-25(21)41-28)36(3)43(5,38)39)22-13-19(14-26(34-22)40-4)31-35-29-24(42-31)7-6-12-33-29;1-17-7-9-18(10-8-17)27-26(29(36)31-2)21-15-20(23(16-25(21)39-27)35(3)41(4,37)38)22-14-19(11-13-32-22)30-34-28-24(40-30)6-5-12-33-28;1-17-7-9-18(10-8-17)27-26(29(36)31-2)21-15-20(23(16-25(21)39-27)35(3)41(4,37)38)19-11-13-32-22(14-19)30-34-28-24(40-30)6-5-12-33-28;1-17-7-9-18(10-8-17)27-26(29(36)31-2)22-13-21(23(14-25(22)39-27)35(3)41(4,37)38)19-12-20(16-32-15-19)30-34-28-24(40-30)6-5-11-33-28/h5-15H,1-4H3,(H,35,40);2*6-16H,1-5H3,(H,32,37);3*5-16H,1-4H3,(H,31,36)
InChIKeyODRMEIVWNDUXNU-UHFFFAOYSA-N
XLogP33.61
TPSA807.04 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds38
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003533.81
LogP ≤ 533.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)-5-(6H-pyrido[2,3-e]pyrido[3',2':4,5]pyrrolo[1,2-c][1,3]oxazin-2-yl)benzofuran-3-carboxamide
CID 71543464
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-5,10,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 71543596
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89434864
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-5,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89434865
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435062
6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 89435071
6-[2,2-difluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435077
2-(4-fluorophenyl)-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-5-(8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435078
5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
CID 118886635
6-[2-fluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 118886636
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 53378836
2-(4-fluorophenyl)-N-methyl-6-(N-(2-morpholinoethyl)methylsulfonamido)-5-(3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)benzofuran-3-carboxamide
CID 53378941

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide (CID 159963964) is 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)cc(C(F)(F)F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)cc(OC)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4nc5ncccc5o4)ccn3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccnc(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc(OC)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4nc5ncccc5o4)c3)cc12.
What is the InChIKey of 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
The InChIKey is ODRMEIVWNDUXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N5O5S.2C31H27N5O6S.3C30H25N5O5S/c1-16-7-9-17(10-8-16)27-26(29(40)35-2)20-14-19(22(15-24(20)43-27)39(3)45(4,41)42)21-12-18(13-25(37-21)31(32,33)34)30-38-28-23(44-30)6-5-11-36-28;1-17-8-10-18(11-9-17)27-26(29(37)32-2)21-14-20(23(15-25(21)41-27)36(3)43(5,38)39)19-13-22(30(40-4)34-16-19)31-35-28-24(42-31)7-6-12-33-28;1-17-8-10-18(11-9-17)28-27(30(37)32-2)21-15-20(23(16-25(21)41-28)36(3)43(5,38)39)22-13-19(14-26(34-22)40-4)31-35-29-24(42-31)7-6-12-33-29;1-17-7-9-18(10-8-17)27-26(29(36)31-2)21-15-20(23(16-25(21)39-27)35(3)41(4,37)38)22-14-19(11-13-32-22)30-34-28-24(40-30)6-5-12-33-28;1-17-7-9-18(10-8-17)27-26(29(36)31-2)21-15-20(23(16-25(21)39-27)35(3)41(4,37)38)19-11-13-32-22(14-19)30-34-28-24(40-30)6-5-12-33-28;1-17-7-9-18(10-8-17)27-26(29(36)31-2)22-13-21(23(14-25(22)39-27)35(3)41(4,37)38)19-12-20(16-32-15-19)30-34-28-24(40-30)6-5-11-33-28/h5-15H,1-4H3,(H,35,40);2*6-16H,1-5H3,(H,32,37);3*5-16H,1-4H3,(H,31,36).
What are the key properties of 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide?
5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide has a molecular weight of 3533.81 g/mol, XLogP of 33.61, 38 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-1-benzofuran-3-carboxamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-(trifluoromethyl)-2-pyridinyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159963964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).