5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

C164H138F6N24O21S3 — CID 158635058

IUPAC5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CC(F)F)S(C)(=O)=O)c(-c3cncc(-c4[nH]c5ccccc5c4F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CCCF)S(C)(=O)=O)c(-c3cncc(-c4[nH]c5ccccc5c4F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CCCF)S(C)(=O)=O)c(-c3cncc(-c4cc5ccccc5[nH]4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cncc(-c4nc5ccccc5o4)c3)cc12
InChIInChI=1S/C33H29F2N5O4S.C33H30FN5O4S.C33H27N5O5.C33H26N4O4.C32H26F3N5O4S/c1-19-9-11-20(12-10-19)32-29(33(41)36-2)23-15-22(27(16-28(23)44-32)40(14-6-13-34)45(3,42)43)25-17-37-18-26(38-25)31-30(35)21-7-4-5-8-24(21)39-31;1-20-9-11-21(12-10-20)32-31(33(40)35-2)24-16-23(29(17-30(24)43-32)39(14-6-13-34)44(3,41)42)27-18-36-19-28(38-27)26-15-22-7-4-5-8-25(22)37-26;1-18-8-10-19(11-9-18)29-28(31(40)34-2)22-15-21(24(16-26(22)42-29)38-13-5-7-27(38)39)20-14-23(32(41-3)36-17-20)33-37-30-25(43-33)6-4-12-35-30;1-19-9-11-20(12-10-19)31-30(32(39)34-2)24-15-23(26(16-28(24)40-31)37-13-5-8-29(37)38)21-14-22(18-35-17-21)33-36-25-6-3-4-7-27(25)41-33;1-17-8-10-18(11-9-17)31-28(32(41)36-2)21-12-20(25(13-26(21)44-31)40(16-27(33)34)45(3,42)43)23-14-37-15-24(38-23)30-29(35)19-6-4-5-7-22(19)39-30/h4-5,7-12,15-18,39H,6,13-14H2,1-3H3,(H,36,41);4-5,7-12,15-19,37H,6,13-14H2,1-3H3,(H,35,40);4,6,8-12,14-17H,5,7,13H2,1-3H3,(H,34,40);3-4,6-7,9-12,14-18H,5,8,13H2,1-2H3,(H,34,39);4-15,27,39H,16H2,1-3H3,(H,36,41)
InChIKeyHZRAEIIFFMDCOZ-UHFFFAOYSA-N
MW2991.24 g/mol
LogP32.61
Rot. Bonds37

About 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide

5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (PubChem CID 158635058) has the molecular formula C164H138F6N24O21S3 and a molecular weight of 2991.24 g/mol. Its IUPAC name is 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
PubChem CID158635058
Molecular FormulaC164H138F6N24O21S3
Molecular Weight2991.24 g/mol
Exact Mass2988.95
IUPAC Name5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CC(F)F)S(C)(=O)=O)c(-c3cncc(-c4[nH]c5ccccc5c4F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CCCF)S(C)(=O)=O)c(-c3cncc(-c4[nH]c5ccccc5c4F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CCCF)S(C)(=O)=O)c(-c3cncc(-c4cc5ccccc5[nH]4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cncc(-c4nc5ccccc5o4)c3)cc12
InChIInChI=1S/C33H29F2N5O4S.C33H30FN5O4S.C33H27N5O5.C33H26N4O4.C32H26F3N5O4S/c1-19-9-11-20(12-10-19)32-29(33(41)36-2)23-15-22(27(16-28(23)44-32)40(14-6-13-34)45(3,42)43)25-17-37-18-26(38-25)31-30(35)21-7-4-5-8-24(21)39-31;1-20-9-11-21(12-10-20)32-31(33(40)35-2)24-16-23(29(17-30(24)43-32)39(14-6-13-34)44(3,41)42)27-18-36-19-28(38-27)26-15-22-7-4-5-8-25(22)37-26;1-18-8-10-19(11-9-18)29-28(31(40)34-2)22-15-21(24(16-26(22)42-29)38-13-5-7-27(38)39)20-14-23(32(41-3)36-17-20)33-37-30-25(43-33)6-4-12-35-30;1-19-9-11-20(12-10-19)31-30(32(39)34-2)24-15-23(26(16-28(24)40-31)37-13-5-8-29(37)38)21-14-22(18-35-17-21)33-36-25-6-3-4-7-27(25)41-33;1-17-8-10-18(11-9-17)31-28(32(41)36-2)21-12-20(25(13-26(21)44-31)40(16-27(33)34)45(3,42)43)23-14-37-15-24(38-23)30-29(35)19-6-4-5-7-22(19)39-30/h4-5,7-12,15-18,39H,6,13-14H2,1-3H3,(H,36,41);4-5,7-12,15-19,37H,6,13-14H2,1-3H3,(H,35,40);4,6,8-12,14-17H,5,7,13H2,1-3H3,(H,34,40);3-4,6-7,9-12,14-18H,5,8,13H2,1-2H3,(H,34,39);4-15,27,39H,16H2,1-3H3,(H,36,41)
InChIKeyHZRAEIIFFMDCOZ-UHFFFAOYSA-N
XLogP32.61
TPSA588.63 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.24
LogP ≤ 532.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-2-(1H-imidazol-1-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 77845758
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
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
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 53464521
5-[2-fluoro-4-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53464580
5-[3-fluoro-4-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53464894
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-([1,3]oxazolo[4,5-b]pyrazin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 53465017
2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 67418265
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
CID 68239292
methyl N-[1-[4-[[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-6-yl]-methylsulfonylamino]methyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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6-[3-(dimethylamino)propyl-methylsulfonylamino]-2-(4-fluorophenyl)-N-methyl-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 68239390

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide (CID 158635058) is 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CC(F)F)S(C)(=O)=O)c(-c3cncc(-c4[nH]c5ccccc5c4F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CCCF)S(C)(=O)=O)c(-c3cncc(-c4[nH]c5ccccc5c4F)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(CCCF)S(C)(=O)=O)c(-c3cncc(-c4cc5ccccc5[nH]4)n3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cnc(OC)c(-c4nc5ncccc5o4)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N3CCCC3=O)c(-c3cncc(-c4nc5ccccc5o4)c3)cc12.
What is the InChIKey of 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
The InChIKey is HZRAEIIFFMDCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N5O4S.C33H30FN5O4S.C33H27N5O5.C33H26N4O4.C32H26F3N5O4S/c1-19-9-11-20(12-10-19)32-29(33(41)36-2)23-15-22(27(16-28(23)44-32)40(14-6-13-34)45(3,42)43)25-17-37-18-26(38-25)31-30(35)21-7-4-5-8-24(21)39-31;1-20-9-11-21(12-10-20)32-31(33(40)35-2)24-16-23(29(17-30(24)43-32)39(14-6-13-34)44(3,41)42)27-18-36-19-28(38-27)26-15-22-7-4-5-8-25(22)37-26;1-18-8-10-19(11-9-18)29-28(31(40)34-2)22-15-21(24(16-26(22)42-29)38-13-5-7-27(38)39)20-14-23(32(41-3)36-17-20)33-37-30-25(43-33)6-4-12-35-30;1-19-9-11-20(12-10-19)31-30(32(39)34-2)24-15-23(26(16-28(24)40-31)37-13-5-8-29(37)38)21-14-22(18-35-17-21)33-36-25-6-3-4-7-27(25)41-33;1-17-8-10-18(11-9-17)31-28(32(41)36-2)21-12-20(25(13-26(21)44-31)40(16-27(33)34)45(3,42)43)23-14-37-15-24(38-23)30-29(35)19-6-4-5-7-22(19)39-30/h4-5,7-12,15-18,39H,6,13-14H2,1-3H3,(H,36,41);4-5,7-12,15-19,37H,6,13-14H2,1-3H3,(H,35,40);4,6,8-12,14-17H,5,7,13H2,1-3H3,(H,34,40);3-4,6-7,9-12,14-18H,5,8,13H2,1-2H3,(H,34,39);4-15,27,39H,16H2,1-3H3,(H,36,41).
What are the key properties of 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide?
5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide has a molecular weight of 2991.24 g/mol, XLogP of 32.61, 37 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide;6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-(3-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;6-[3-fluoropropyl(methylsulfonyl)amino]-5-[6-(1H-indol-2-yl)pyrazin-2-yl]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[6-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 158635058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).