5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide

C160H132F7N23O20S5 — CID 157376914

IUPAC5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)ncn4-c3cc(F)cc(F)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)ncn4-c3ccc(F)cc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(C#N)cc5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(C(F)(F)F)cc5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(F)cc5)c4c3)cc12
InChIInChI=1S/C33H27F3N4O4S.C33H27N5O4S.C32H27FN4O4S.C31H25F2N5O4S.C31H26FN5O4S/c1-19-5-7-20(8-6-19)31-30(32(41)37-2)25-16-24(27(17-29(25)44-31)39(3)45(4,42)43)21-15-28-26(38-18-21)13-14-40(28)23-11-9-22(10-12-23)33(34,35)36;1-20-5-9-22(10-6-20)32-31(33(39)35-2)26-16-25(28(17-30(26)42-32)37(3)43(4,40)41)23-15-29-27(36-19-23)13-14-38(29)24-11-7-21(18-34)8-12-24;1-19-5-7-20(8-6-19)31-30(32(38)34-2)25-16-24(27(17-29(25)41-31)36(3)42(4,39)40)21-15-28-26(35-18-21)13-14-37(28)23-11-9-22(33)10-12-23;1-17-5-7-18(8-6-17)30-29(31(39)34-2)23-12-22(26(14-28(23)42-30)37(3)43(4,40)41)24-13-27-25(15-35-24)36-16-38(27)21-10-19(32)9-20(33)11-21;1-18-5-7-19(8-6-18)30-29(31(38)33-2)23-13-22(26(15-28(23)41-30)36(3)42(4,39)40)24-14-27-25(16-34-24)35-17-37(27)21-11-9-20(32)10-12-21/h5-18H,1-4H3,(H,37,41);5-17,19H,1-4H3,(H,35,39);5-18H,1-4H3,(H,34,38);5-16H,1-4H3,(H,34,39);5-17H,1-4H3,(H,33,38)
InChIKeyBKKUQGRIXCRBJO-UHFFFAOYSA-N
MW2990.28 g/mol
LogP31.08
Rot. Bonds30

About 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide

5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide (PubChem CID 157376914) has the molecular formula C160H132F7N23O20S5 and a molecular weight of 2990.28 g/mol. Its IUPAC name is 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide
PubChem CID157376914
Molecular FormulaC160H132F7N23O20S5
Molecular Weight2990.28 g/mol
Exact Mass2987.85
IUPAC Name5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)ncn4-c3cc(F)cc(F)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)ncn4-c3ccc(F)cc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(C#N)cc5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(C(F)(F)F)cc5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(F)cc5)c4c3)cc12
InChIInChI=1S/C33H27F3N4O4S.C33H27N5O4S.C32H27FN4O4S.C31H25F2N5O4S.C31H26FN5O4S/c1-19-5-7-20(8-6-19)31-30(32(41)37-2)25-16-24(27(17-29(25)44-31)39(3)45(4,42)43)21-15-28-26(38-18-21)13-14-40(28)23-11-9-22(10-12-23)33(34,35)36;1-20-5-9-22(10-6-20)32-31(33(39)35-2)26-16-25(28(17-30(26)42-32)37(3)43(4,40)41)23-15-29-27(36-19-23)13-14-38(29)24-11-7-21(18-34)8-12-24;1-19-5-7-20(8-6-19)31-30(32(38)34-2)25-16-24(27(17-29(25)41-31)36(3)42(4,39)40)21-15-28-26(35-18-21)13-14-37(28)23-11-9-22(33)10-12-23;1-17-5-7-18(8-6-17)30-29(31(39)34-2)23-12-22(26(14-28(23)42-30)37(3)43(4,40)41)24-13-27-25(15-35-24)36-16-38(27)21-10-19(32)9-20(33)11-21;1-18-5-7-19(8-6-18)30-29(31(38)33-2)23-13-22(26(15-28(23)41-30)36(3)42(4,39)40)24-14-27-25(16-34-24)35-17-37(27)21-11-9-20(32)10-12-21/h5-18H,1-4H3,(H,37,41);5-17,19H,1-4H3,(H,35,39);5-18H,1-4H3,(H,34,38);5-16H,1-4H3,(H,34,39);5-17H,1-4H3,(H,33,38)
InChIKeyBKKUQGRIXCRBJO-UHFFFAOYSA-N
XLogP31.08
TPSA536.77 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002990.28
LogP ≤ 531.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318214
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-6,10,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16)-pentaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435049
5-(11-fluoro-5,6-dihydropyrimido[4',5':3,4]pyrido[1,2-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 90341034
2-(4-fluorophenyl)-5-[3-[1-(2-imidazol-1-ylethyl)indol-2-yl]phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239704
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 68239714
2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71141993
2-(4-fluorophenyl)-5-(3-(4-fluorophenyl)imidazo[1,2-a]pyrazin-6-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 71295324
5-(8-(1H-indol-2-yl)-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 71295655
5-[3-(3-cyanophenyl)benzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509249
2-(4-fluorophenyl)-5-[3-(5-fluoro-3-pyridinyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509460
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(3-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 71509540
5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71509594

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide (CID 157376914) is 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)ncn4-c3cc(F)cc(F)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)ncn4-c3ccc(F)cc3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(C#N)cc5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(C(F)(F)F)cc5)c4c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4ccn(-c5ccc(F)cc5)c4c3)cc12.
What is the InChIKey of 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide?
The InChIKey is BKKUQGRIXCRBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F3N4O4S.C33H27N5O4S.C32H27FN4O4S.C31H25F2N5O4S.C31H26FN5O4S/c1-19-5-7-20(8-6-19)31-30(32(41)37-2)25-16-24(27(17-29(25)44-31)39(3)45(4,42)43)21-15-28-26(38-18-21)13-14-40(28)23-11-9-22(10-12-23)33(34,35)36;1-20-5-9-22(10-6-20)32-31(33(39)35-2)26-16-25(28(17-30(26)42-32)37(3)43(4,40)41)23-15-29-27(36-19-23)13-14-38(29)24-11-7-21(18-34)8-12-24;1-19-5-7-20(8-6-19)31-30(32(38)34-2)25-16-24(27(17-29(25)41-31)36(3)42(4,39)40)21-15-28-26(35-18-21)13-14-37(28)23-11-9-22(33)10-12-23;1-17-5-7-18(8-6-17)30-29(31(39)34-2)23-12-22(26(14-28(23)42-30)37(3)43(4,40)41)24-13-27-25(15-35-24)36-16-38(27)21-10-19(32)9-20(33)11-21;1-18-5-7-19(8-6-18)30-29(31(38)33-2)23-13-22(26(15-28(23)41-30)36(3)42(4,39)40)24-14-27-25(16-34-24)35-17-37(27)21-11-9-20(32)10-12-21/h5-18H,1-4H3,(H,37,41);5-17,19H,1-4H3,(H,35,39);5-18H,1-4H3,(H,34,38);5-16H,1-4H3,(H,34,39);5-17H,1-4H3,(H,33,38).
What are the key properties of 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide?
5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide has a molecular weight of 2990.28 g/mol, XLogP of 31.08, 30 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(3,5-difluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)imidazo[4,5-c]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-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-[1-[4-(trifluoromethyl)phenyl]pyrrolo[3,2-b]pyridin-6-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 157376914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).