(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide

C159H131F14N13O11 — CID 157188700

About (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide (PubChem CID 157188700) has the molecular formula C159H131F14N13O11 and a molecular weight of 2665.85 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide
• PubChem CID: 157188700
• Molecular Formula: C159H131F14N13O11
• Molecular Weight: 2665.85 g/mol
• Exact Mass: 2663.99
• IUPAC Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide
• SMILES: CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)c1.CC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(-c2nn[nH]n2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1
• InChI: InChI=1S/C33H26F3NO2.C32H29F5N4O2.C32H25F2N5O2.C32H26F2N2O3.C30H25F2NO2/c1-20(38)23-4-2-5-24(15-23)31-6-3-11-37-33(31)26(12-21-13-28(35)18-29(36)14-21)17-30(39)16-25-8-7-22-9-10-27(34)19-32(22)25;1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43;33-25-12-19(13-26(34)17-25)11-24(16-28(41)15-22-7-6-20-8-9-27(40)18-30(20)22)31-29(5-2-10-35-31)21-3-1-4-23(14-21)32-36-38-39-37-32;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23/h2-6,8-11,13-15,18-19,26H,7,12,16-17H2,1H3;3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43);1-5,7-10,12-14,17-18,24,40H,6,11,15-16H2,(H,36,37,38,39);2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2/t26-;18?,22-;24-;25-;24-/m11111/s1
• InChIKey: APKZRCATSOAFPR-IAKNAJFRSA-N
• XLogP: 33.05
• TPSA: 372.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 43
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2665.85
LogP ≤ 5	33.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?

The IUPAC name of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide (CID 157188700) is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?

The canonical SMILES for (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide is CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)c1.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)c1.CC1CCCc2c(C(F)(F)F)nn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(C(N)=O)c3)c21.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(-c2nn[nH]n2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1C#CC1CC1.

What is the InChIKey of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?

The InChIKey is APKZRCATSOAFPR-IAKNAJFRSA-N. The full InChI is InChI=1S/C33H26F3NO2.C32H29F5N4O2.C32H25F2N5O2.C32H26F2N2O3.C30H25F2NO2/c1-20(38)23-4-2-5-24(15-23)31-6-3-11-37-33(31)26(12-21-13-28(35)18-29(36)14-21)17-30(39)16-25-8-7-22-9-10-27(34)19-32(22)25;1-18-5-2-8-27-29(18)41(40-30(27)32(35,36)37)17-25(42)15-22(11-19-12-23(33)16-24(34)13-19)28-26(9-4-10-39-28)20-6-3-7-21(14-20)31(38)43;33-25-12-19(13-26(34)17-25)11-24(16-28(41)15-22-7-6-20-8-9-27(40)18-30(20)22)31-29(5-2-10-35-31)21-3-1-4-23(14-21)32-36-38-39-37-32;1-19(37)22-4-2-5-23(15-22)29-6-3-11-35-32(29)25(12-20-13-26(33)18-27(34)14-20)17-28(38)16-24-8-7-21-9-10-30(39)36-31(21)24;31-25-13-20(14-26(32)17-25)12-24(30-22(2-1-11-33-30)6-5-19-3-4-19)16-28(35)15-23-8-7-21-9-10-27(34)18-29(21)23/h2-6,8-11,13-15,18-19,26H,7,12,16-17H2,1H3;3-4,6-7,9-10,12-14,16,18,22H,2,5,8,11,15,17H2,1H3,(H2,38,43);1-5,7-10,12-14,17-18,24,40H,6,11,15-16H2,(H,36,37,38,39);2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39);1-2,8-11,13-14,17-19,24,34H,3-4,7,12,15-16H2/t26-;18?,22-;24-;25-;24-/m11111/s1.

What are the key properties of (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide?

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide has a molecular weight of 2665.85 g/mol, XLogP of 33.05, 43 rotatable bonds, 5 hydrogen bond donors, and 21 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-fluoro-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-4-[3-(2-cyclopropylethynyl)-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-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 157188700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).