N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one

C168H146F11N9O10S — CID 158598124

About N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 158598124) has the molecular formula C168H146F11N9O10S and a molecular weight of 2692.11 g/mol. Its IUPAC name is N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

• Compound Name: N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
• PubChem CID: 158598124
• Molecular Formula: C168H146F11N9O10S
• Molecular Weight: 2692.11 g/mol
• Exact Mass: 2690.07
• IUPAC Name: N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one
• SMILES: CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3cc(OC)c(OCc4ccccc4)cc32)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NS(C)(=O)=O)cc23)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccccc32)Cc2cc(F)cc(F)c2)cc1
• InChI: InChI=1S/C40H36F2N2O3.C32H26F3NO.C32H30F2N4O3S.C32H27F2NO2.C32H27F2NO/c1-3-26-11-13-29(14-12-26)34-10-7-17-43-40(34)36(20-28-18-32(41)23-33(42)19-28)44-39(45)22-31-16-15-30-21-37(46-2)38(24-35(30)31)47-25-27-8-5-4-6-9-27;1-20-4-6-22(7-5-20)30-3-2-12-36-32(30)25(13-21-14-27(34)18-28(35)15-21)17-29(37)16-24-9-8-23-10-11-26(33)19-31(23)24;1-3-20-6-8-22(9-7-20)27-5-4-12-35-32(27)30(15-21-13-24(33)17-25(34)14-21)37-31(39)16-23-19-36-29-11-10-26(18-28(23)29)38-42(2,40)41;1-20-4-6-22(7-5-20)30-3-2-12-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-9-8-23-10-11-28(36)19-31(23)24;1-21-8-10-24(11-9-21)31-7-4-14-35-32(31)26(15-22-16-27(33)20-28(34)17-22)19-29(36)18-25-13-12-23-5-2-3-6-30(23)25/h4-14,16-19,21,23-24,36H,3,15,20,22,25H2,1-2H3,(H,44,45);2-7,9-12,14-15,18-19,25H,8,13,16-17H2,1H3;4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-7,9-12,14-15,18-19,25,36H,8,13,16-17H2,1H3;2-11,13-14,16-17,20,26H,12,15,18-19H2,1H3/t36-;25-;30-;25-;26-/m01011/s1
• InChIKey: HVHCAQKUNOZQJQ-QATPACFRSA-N
• XLogP: 37.49
• TPSA: 274.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 46
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2692.11
LogP ≤ 5	37.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?

The IUPAC name of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one (CID 158598124) is N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one.

What is the SMILES notation for N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?

The canonical SMILES for N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one is CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=CCc3cc(OC)c(OCc4ccccc4)cc32)cc1.CCc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NS(C)(=O)=O)cc23)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccccc32)Cc2cc(F)cc(F)c2)cc1.

What is the InChIKey of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?

The InChIKey is HVHCAQKUNOZQJQ-QATPACFRSA-N. The full InChI is InChI=1S/C40H36F2N2O3.C32H26F3NO.C32H30F2N4O3S.C32H27F2NO2.C32H27F2NO/c1-3-26-11-13-29(14-12-26)34-10-7-17-43-40(34)36(20-28-18-32(41)23-33(42)19-28)44-39(45)22-31-16-15-30-21-37(46-2)38(24-35(30)31)47-25-27-8-5-4-6-9-27;1-20-4-6-22(7-5-20)30-3-2-12-36-32(30)25(13-21-14-27(34)18-28(35)15-21)17-29(37)16-24-9-8-23-10-11-26(33)19-31(23)24;1-3-20-6-8-22(9-7-20)27-5-4-12-35-32(27)30(15-21-13-24(33)17-25(34)14-21)37-31(39)16-23-19-36-29-11-10-26(18-28(23)29)38-42(2,40)41;1-20-4-6-22(7-5-20)30-3-2-12-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-9-8-23-10-11-28(36)19-31(23)24;1-21-8-10-24(11-9-21)31-7-4-14-35-32(31)26(15-22-16-27(33)20-28(34)17-22)19-29(36)18-25-13-12-23-5-2-3-6-30(23)25/h4-14,16-19,21,23-24,36H,3,15,20,22,25H2,1-2H3,(H,44,45);2-7,9-12,14-15,18-19,25H,8,13,16-17H2,1H3;4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-7,9-12,14-15,18-19,25,36H,8,13,16-17H2,1H3;2-11,13-14,16-17,20,26H,12,15,18-19H2,1H3/t36-;25-;30-;25-;26-/m01011/s1.

What are the key properties of N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one?

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 2692.11 g/mol, XLogP of 37.49, 46 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-(5-methoxy-6-phenylmethoxy-3H-inden-1-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(3H-inden-1-yl)-4-[3-(4-methylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 158598124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).