(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one

C165H138F14N12O12 — CID 160582605

About (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one (PubChem CID 160582605) has the molecular formula C165H138F14N12O12 and a molecular weight of 2746.96 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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one.

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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one
• PubChem CID: 160582605
• Molecular Formula: C165H138F14N12O12
• Molecular Weight: 2746.96 g/mol
• Exact Mass: 2745.03
• IUPAC Name: (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one
• 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.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(C)CCC3)Cc2cc(F)cc(F)c2)c1.CN(C)C(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(-c2ncn[nH]2)c1
• InChI: InChI=1S/C34H30F2N2O3.C33H30F5N3O2.C33H26F3NO2.C33H26F2N4O2.C32H26F2N2O3/c1-38(2)34(41)25-6-3-5-23(16-25)31-7-4-12-37-33(31)26(13-21-14-27(35)19-28(36)15-21)18-30(40)17-24-9-8-22-10-11-29(39)20-32(22)24;1-19-6-3-9-29-31(19)41(40-32(29)33(36,37)38)18-27(43)16-24(12-21-13-25(34)17-26(35)14-21)30-28(10-5-11-39-30)23-8-4-7-22(15-23)20(2)42;1-20(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;34-26-12-20(13-27(35)17-26)11-25(16-29(41)15-23-7-6-21-8-9-28(40)18-31(21)23)32-30(5-2-10-36-32)22-3-1-4-24(14-22)33-37-19-38-39-33;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/h3-7,9-12,14-16,19-20,26,39H,8,13,17-18H2,1-2H3;4-5,7-8,10-11,13-15,17,19,24H,3,6,9,12,16,18H2,1-2H3;2-6,8-11,13-15,18-19,26H,7,12,16-17H2,1H3;1-5,7-10,12-14,17-19,25,40H,6,11,15-16H2,(H,37,38,39);2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39)/t26-;19?,24-;26-;2*25-/m11111/s1
• InChIKey: RBZCKVNXKUMWML-QQYRMBDASA-N
• XLogP: 35.37
• TPSA: 354.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 45
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2746.96
LogP ≤ 5	35.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one?

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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one (CID 160582605) is (4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one.

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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one?

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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one 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.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(C)CCC3)Cc2cc(F)cc(F)c2)c1.CN(C)C(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.O=C(CC1=CCc2ccc(O)cc21)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(-c2ncn[nH]2)c1.

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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one?

The InChIKey is RBZCKVNXKUMWML-QQYRMBDASA-N. The full InChI is InChI=1S/C34H30F2N2O3.C33H30F5N3O2.C33H26F3NO2.C33H26F2N4O2.C32H26F2N2O3/c1-38(2)34(41)25-6-3-5-23(16-25)31-7-4-12-37-33(31)26(13-21-14-27(35)19-28(36)15-21)18-30(40)17-24-9-8-22-10-11-29(39)20-32(22)24;1-19-6-3-9-29-31(19)41(40-32(29)33(36,37)38)18-27(43)16-24(12-21-13-25(34)17-26(35)14-21)30-28(10-5-11-39-30)23-8-4-7-22(15-23)20(2)42;1-20(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;34-26-12-20(13-27(35)17-26)11-25(16-29(41)15-23-7-6-21-8-9-28(40)18-31(21)23)32-30(5-2-10-36-32)22-3-1-4-24(14-22)33-37-19-38-39-33;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/h3-7,9-12,14-16,19-20,26,39H,8,13,17-18H2,1-2H3;4-5,7-8,10-11,13-15,17,19,24H,3,6,9,12,16,18H2,1-2H3;2-6,8-11,13-15,18-19,26H,7,12,16-17H2,1H3;1-5,7-10,12-14,17-19,25,40H,6,11,15-16H2,(H,37,38,39);2-6,8-11,13-15,18,25H,7,12,16-17H2,1H3,(H,36,39)/t26-;19?,24-;26-;2*25-/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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one?

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one has a molecular weight of 2746.96 g/mol, XLogP of 35.37, 45 rotatable bonds, 4 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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-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;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 160582605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).