(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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

C127H103F12N7O8 — CID 158892658

IUPAC(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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
SMILESCC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.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.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C33H27F2NO3.C32H27F2NO2.C31H23F6N3O.C31H26F2N2O2/c1-20(37)23-4-2-5-24(15-23)31-6-3-11-36-33(31)26(12-21-13-27(34)18-28(35)14-21)17-30(39)16-25-8-7-22-9-10-29(38)19-32(22)25;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;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/h2-6,8-11,13-15,18-19,26,38H,7,12,16-17H2,1H3;2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;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)/t26-;25-;27-,28-;24-/m1101/s1
InChIKeyJEKXEERDFNGHNE-JULPGEDKSA-N
MW2083.24 g/mol
LogP28.65
Rot. Bonds32

About (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 158892658) has the molecular formula C127H103F12N7O8 and a molecular weight of 2083.24 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 CID158892658
Molecular FormulaC127H103F12N7O8
Molecular Weight2083.24 g/mol
Exact Mass2081.77
IUPAC Name(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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
SMILESCC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.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.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C33H27F2NO3.C32H27F2NO2.C31H23F6N3O.C31H26F2N2O2/c1-20(37)23-4-2-5-24(15-23)31-6-3-11-36-33(31)26(12-21-13-27(34)18-28(35)14-21)17-30(39)16-25-8-7-22-9-10-29(38)19-32(22)25;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;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/h2-6,8-11,13-15,18-19,26,38H,7,12,16-17H2,1H3;2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;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)/t26-;25-;27-,28-;24-/m1101/s1
InChIKeyJEKXEERDFNGHNE-JULPGEDKSA-N
XLogP28.65
TPSA238.05 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.24
LogP ≤ 528.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 158892658) is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.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.Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 JEKXEERDFNGHNE-JULPGEDKSA-N. The full InChI is InChI=1S/C33H27F2NO3.C32H27F2NO2.C31H23F6N3O.C31H26F2N2O2/c1-20(37)23-4-2-5-24(15-23)31-6-3-11-36-33(31)26(12-21-13-27(34)18-28(35)14-21)17-30(39)16-25-8-7-22-9-10-29(38)19-32(22)25;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;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/h2-6,8-11,13-15,18-19,26,38H,7,12,16-17H2,1H3;2-6,8-12,14-15,18-19,25,36H,7,13,16-17H2,1H3;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)/t26-;25-;27-,28-;24-/m1101/s1.
What are the key properties of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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?
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 2083.24 g/mol, XLogP of 28.65, 32 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;(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 158892658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).