5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

C163H147N27O25S7 — CID 157108080

IUPAC5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(C#N)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(N4CCOCC4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(OC)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(S(C)(=O)=O)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(S(C)=O)n3)cc12
InChIInChI=1S/C35H34N6O5S.C32H26N6O4S.C32H29N5O6S2.C32H29N5O5S2.C32H29N5O5S/c1-21-9-11-22(12-10-21)33-32(34(42)36-2)25-18-24(30(20-31(25)46-33)40(3)47(4,43)44)27-19-29(28-17-23-7-5-6-8-26(23)37-28)39-35(38-27)41-13-15-45-16-14-41;1-18-9-11-19(12-10-18)31-30(32(39)34-2)22-14-21(27(16-28(22)42-31)38(3)43(4,40)41)24-15-26(37-29(17-33)36-24)25-13-20-7-5-6-8-23(20)35-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)43-30)37(3)45(5,41)42)24-16-26(36-32(35-24)44(4,39)40)25-14-20-8-6-7-9-23(20)34-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)42-30)37(3)44(5,40)41)24-16-26(36-32(35-24)43(4)39)25-14-20-8-6-7-9-23(20)34-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)42-30)37(3)43(5,39)40)24-16-26(36-32(35-24)41-4)25-14-20-8-6-7-9-23(20)34-25/h5-12,17-20,37H,13-16H2,1-4H3,(H,36,42);5-16,35H,1-4H3,(H,34,39);6-17,34H,1-5H3,(H,33,38);6-17,34H,1-5H3,(H,33,38);6-17,34H,1-5H3,(H,33,38)
InChIKeyAGNMIPDXDXGEHN-UHFFFAOYSA-N
MW3108.60 g/mol
LogP27.70
Rot. Bonds34

About 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 157108080) has the molecular formula C163H147N27O25S7 and a molecular weight of 3108.60 g/mol. Its IUPAC name is 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
PubChem CID157108080
Molecular FormulaC163H147N27O25S7
Molecular Weight3108.60 g/mol
Exact Mass3105.91
IUPAC Name5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(C#N)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(N4CCOCC4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(OC)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(S(C)(=O)=O)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(S(C)=O)n3)cc12
InChIInChI=1S/C35H34N6O5S.C32H26N6O4S.C32H29N5O6S2.C32H29N5O5S2.C32H29N5O5S/c1-21-9-11-22(12-10-21)33-32(34(42)36-2)25-18-24(30(20-31(25)46-33)40(3)47(4,43)44)27-19-29(28-17-23-7-5-6-8-26(23)37-28)39-35(38-27)41-13-15-45-16-14-41;1-18-9-11-19(12-10-18)31-30(32(39)34-2)22-14-21(27(16-28(22)42-31)38(3)43(4,40)41)24-15-26(37-29(17-33)36-24)25-13-20-7-5-6-8-23(20)35-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)43-30)37(3)45(5,41)42)24-16-26(36-32(35-24)44(4,39)40)25-14-20-8-6-7-9-23(20)34-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)42-30)37(3)44(5,40)41)24-16-26(36-32(35-24)43(4)39)25-14-20-8-6-7-9-23(20)34-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)42-30)37(3)43(5,39)40)24-16-26(36-32(35-24)41-4)25-14-20-8-6-7-9-23(20)34-25/h5-12,17-20,37H,13-16H2,1-4H3,(H,36,42);5-16,35H,1-4H3,(H,34,39);6-17,34H,1-5H3,(H,33,38);6-17,34H,1-5H3,(H,33,38);6-17,34H,1-5H3,(H,33,38)
InChIKeyAGNMIPDXDXGEHN-UHFFFAOYSA-N
XLogP27.70
TPSA702.65 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003108.60
LogP ≤ 527.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)-2-methylsulfanylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71295536
2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71295685
2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71295715
2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510005
2-(4-fluorophenyl)-5-[2-(1H-indol-2-yl)-6-morpholin-4-yl-4-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510007
2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-6-morpholin-4-yl-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71510404
5-[15-fluoro-9-(morpholin-4-ylmethyl)-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]-1-benzofuran-3-carboxamide
CID 78318221
5-[15-fluoro-9-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-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]-1-benzofuran-3-carboxamide
CID 78318402
2-(4-fluorophenyl)-5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89434419
5-[15-fluoro-9-[[(3S)-3-methoxypyrrolidin-1-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]-1-benzofuran-3-carboxamide
CID 90341080
2-(2,4-difluorophenyl)-5-[15-fluoro-9-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-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 90341099
5-[15-fluoro-9-[[(3R)-3-methoxypyrrolidin-1-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]-1-benzofuran-3-carboxamide
CID 90341103

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 157108080) is 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(C#N)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(N4CCOCC4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(OC)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(S(C)(=O)=O)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)nc(S(C)=O)n3)cc12.
What is the InChIKey of 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
The InChIKey is AGNMIPDXDXGEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O5S.C32H26N6O4S.C32H29N5O6S2.C32H29N5O5S2.C32H29N5O5S/c1-21-9-11-22(12-10-21)33-32(34(42)36-2)25-18-24(30(20-31(25)46-33)40(3)47(4,43)44)27-19-29(28-17-23-7-5-6-8-26(23)37-28)39-35(38-27)41-13-15-45-16-14-41;1-18-9-11-19(12-10-18)31-30(32(39)34-2)22-14-21(27(16-28(22)42-31)38(3)43(4,40)41)24-15-26(37-29(17-33)36-24)25-13-20-7-5-6-8-23(20)35-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)43-30)37(3)45(5,41)42)24-16-26(36-32(35-24)44(4,39)40)25-14-20-8-6-7-9-23(20)34-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)42-30)37(3)44(5,40)41)24-16-26(36-32(35-24)43(4)39)25-14-20-8-6-7-9-23(20)34-25;1-18-10-12-19(13-11-18)30-29(31(38)33-2)22-15-21(27(17-28(22)42-30)37(3)43(5,39)40)24-16-26(36-32(35-24)41-4)25-14-20-8-6-7-9-23(20)34-25/h5-12,17-20,37H,13-16H2,1-4H3,(H,36,42);5-16,35H,1-4H3,(H,34,39);6-17,34H,1-5H3,(H,33,38);6-17,34H,1-5H3,(H,33,38);6-17,34H,1-5H3,(H,33,38).
What are the key properties of 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?
5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 3108.60 g/mol, XLogP of 27.70, 34 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyano-6-(1H-indol-2-yl)pyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methoxypyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfinylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-methylsulfonylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(1H-indol-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 157108080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).