(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one

C131H106ClF9N4O13S — CID 157211066

IUPAC(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.CS(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C33H26ClF2NO3.C33H26F3NO3.C33H27F2NO3.C32H27F2NO4S/c1-19(38)30-16-23(7-9-32(30)34)29-3-2-10-37-33(29)24(11-20-12-25(35)17-26(36)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-19(38)30-16-23(7-9-32(30)36)29-3-2-10-37-33(29)24(11-20-12-25(34)17-26(35)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-20(37)22-4-6-23(7-5-22)31-3-2-12-36-33(31)26(13-21-14-27(34)18-28(35)15-21)17-30(39)16-25-9-8-24-10-11-29(38)19-32(24)25;1-40(38,39)29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23/h2*2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-7,9-12,14-15,18-19,26,38H,8,13,16-17H2,1H3;2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3/t2*24-;26-;24-/m1111/s1
InChIKeyARWWPRJZMLNTNP-VOLXDIHDSA-N
MW2182.81 g/mol
LogP28.99
Rot. Bonds36

About (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one

(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 157211066) has the molecular formula C131H106ClF9N4O13S and a molecular weight of 2182.81 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one
PubChem CID157211066
Molecular FormulaC131H106ClF9N4O13S
Molecular Weight2182.81 g/mol
Exact Mass2180.70
IUPAC Name(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.CS(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C33H26ClF2NO3.C33H26F3NO3.C33H27F2NO3.C32H27F2NO4S/c1-19(38)30-16-23(7-9-32(30)34)29-3-2-10-37-33(29)24(11-20-12-25(35)17-26(36)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-19(38)30-16-23(7-9-32(30)36)29-3-2-10-37-33(29)24(11-20-12-25(34)17-26(35)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-20(37)22-4-6-23(7-5-22)31-3-2-12-36-33(31)26(13-21-14-27(34)18-28(35)15-21)17-30(39)16-25-9-8-24-10-11-29(38)19-32(24)25;1-40(38,39)29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23/h2*2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-7,9-12,14-15,18-19,26,38H,8,13,16-17H2,1H3;2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3/t2*24-;26-;24-/m1111/s1
InChIKeyARWWPRJZMLNTNP-VOLXDIHDSA-N
XLogP28.99
TPSA286.11 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.81
LogP ≤ 528.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one (CID 157211066) is (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.CS(=O)(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
The InChIKey is ARWWPRJZMLNTNP-VOLXDIHDSA-N. The full InChI is InChI=1S/C33H26ClF2NO3.C33H26F3NO3.C33H27F2NO3.C32H27F2NO4S/c1-19(38)30-16-23(7-9-32(30)34)29-3-2-10-37-33(29)24(11-20-12-25(35)17-26(36)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-19(38)30-16-23(7-9-32(30)36)29-3-2-10-37-33(29)24(11-20-12-25(34)17-26(35)13-20)15-28(40)14-22-5-4-21-6-8-27(39)18-31(21)22;1-20(37)22-4-6-23(7-5-22)31-3-2-12-36-33(31)26(13-21-14-27(34)18-28(35)15-21)17-30(39)16-25-9-8-24-10-11-29(38)19-32(24)25;1-40(38,39)29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23/h2*2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-7,9-12,14-15,18-19,26,38H,8,13,16-17H2,1H3;2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3/t2*24-;26-;24-/m1111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 2182.81 g/mol, XLogP of 28.99, 36 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(4-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-(4-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 157211066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).