N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

C157H129F18N13O9S — CID 158447163

About N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (PubChem CID 158447163) has the molecular formula C157H129F18N13O9S and a molecular weight of 2715.87 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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• PubChem CID: 158447163
• Molecular Formula: C157H129F18N13O9S
• Molecular Weight: 2715.87 g/mol
• Exact Mass: 2713.95
• IUPAC Name: N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• SMILES: 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(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
• InChI: InChI=1S/C32H30F2N4O3S.C32H27F2NO2.2C31H23F6N3O.C31H26F2N2O2/c1-3-20-6-8-22(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;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;2*1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26;1-19-4-6-21(7-5-19)28-3-2-12-34-31(28)24(13-20-14-25(32)18-26(33)15-20)17-27(36)16-23-9-8-22-10-11-29(37)35-30(22)23/h4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;2*2-12,14-16,27-28,39H,13H2,1H3,(H,40,41);2-7,9-12,14-15,18,24H,8,13,16-17H2,1H3,(H,35,37)/t30-;25-;27-,28+;27-,28-;24-/m01001/s1
• InChIKey: HDNLBOUTCBGACE-GIYMCVKDSA-N
• XLogP: 35.18
• TPSA: 332.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 40
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2715.87
LogP ≤ 5	35.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (CID 158447163) is N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is 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(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.Cc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](c2c[nH]c3ccc(F)cc23)C(F)(F)F)cc1.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.

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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The InChIKey is HDNLBOUTCBGACE-GIYMCVKDSA-N. The full InChI is InChI=1S/C32H30F2N4O3S.C32H27F2NO2.2C31H23F6N3O.C31H26F2N2O2/c1-3-20-6-8-22(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;1-20-4-2-5-23(12-20)30-6-3-11-35-32(30)25(13-21-14-26(33)18-27(34)15-21)17-29(37)16-24-8-7-22-9-10-28(36)19-31(22)24;2*1-17-4-6-19(7-5-17)23-3-2-10-38-29(23)27(13-18-11-21(33)14-22(34)12-18)40-30(41)28(31(35,36)37)25-16-39-26-9-8-20(32)15-24(25)26;1-19-4-6-21(7-5-19)28-3-2-12-34-31(28)24(13-20-14-25(32)18-26(33)15-20)17-27(36)16-23-9-8-22-10-11-29(37)35-30(22)23/h4-14,17-19,30,36,38H,3,15-16H2,1-2H3,(H,37,39);2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;2*2-12,14-16,27-28,39H,13H2,1H3,(H,40,41);2-7,9-12,14-15,18,24H,8,13,16-17H2,1H3,(H,35,37)/t30-;25-;27-,28+;27-,28-;24-/m01001/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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethylphenyl)-2-pyridinyl]ethyl]-2-[5-(methanesulfonamido)-1H-indol-3-yl]acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one has a molecular weight of 2715.87 g/mol, XLogP of 35.18, 40 rotatable bonds, 9 hydrogen bond donors, and 14 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;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 158447163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).