(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one

C134H113ClF8N6O12 — CID 158088070

IUPAC(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.CCC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.CN(C)C(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.CNC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C34H30F2N2O3.C34H29F2NO3.C33H26ClF2NO3.C33H28F2N2O3/c1-38(2)34(41)24-8-5-22(6-9-24)31-4-3-13-37-33(31)26(14-21-15-27(35)19-28(36)16-21)18-30(40)17-25-10-7-23-11-12-29(39)20-32(23)25;1-2-33(40)25-6-3-5-23(16-25)31-7-4-12-37-34(31)26(13-21-14-27(35)19-28(36)15-21)18-30(39)17-24-9-8-22-10-11-29(38)20-32(22)24;1-19(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;1-36-33(40)23-7-4-21(5-8-23)30-3-2-12-37-32(30)25(13-20-14-26(34)18-27(35)15-20)17-29(39)16-24-9-6-22-10-11-28(38)19-31(22)24/h3-6,8-13,15-16,19-20,26,39H,7,14,17-18H2,1-2H3;3-7,9-12,14-16,19-20,26,38H,2,8,13,17-18H2,1H3;2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-5,7-12,14-15,18-19,25,38H,6,13,16-17H2,1H3,(H,36,40)/t2*26-;24-;25-/m1111/s1
InChIKeyFNTIPFRNOXWLCP-FESUDLEGSA-N
MW2186.84 g/mol
LogP28.70
Rot. Bonds37

About (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 158088070) has the molecular formula C134H113ClF8N6O12 and a molecular weight of 2186.84 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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one
PubChem CID158088070
Molecular FormulaC134H113ClF8N6O12
Molecular Weight2186.84 g/mol
Exact Mass2184.80
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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.CCC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.CN(C)C(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.CNC(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C34H30F2N2O3.C34H29F2NO3.C33H26ClF2NO3.C33H28F2N2O3/c1-38(2)34(41)24-8-5-22(6-9-24)31-4-3-13-37-33(31)26(14-21-15-27(35)19-28(36)16-21)18-30(40)17-25-10-7-23-11-12-29(39)20-32(23)25;1-2-33(40)25-6-3-5-23(16-25)31-7-4-12-37-34(31)26(13-21-14-27(35)19-28(36)15-21)18-30(39)17-24-9-8-22-10-11-29(38)20-32(22)24;1-19(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;1-36-33(40)23-7-4-21(5-8-23)30-3-2-12-37-32(30)25(13-20-14-26(34)18-27(35)15-20)17-29(39)16-24-9-6-22-10-11-28(38)19-31(22)24/h3-6,8-13,15-16,19-20,26,39H,7,14,17-18H2,1-2H3;3-7,9-12,14-16,19-20,26,38H,2,8,13,17-18H2,1H3;2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-5,7-12,14-15,18-19,25,38H,6,13,16-17H2,1H3,(H,36,40)/t2*26-;24-;25-/m1111/s1
InChIKeyFNTIPFRNOXWLCP-FESUDLEGSA-N
XLogP28.70
TPSA284.31 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.84
LogP ≤ 528.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one with MolForge

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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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one (CID 158088070) is (4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)ccc1Cl.CCC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.CN(C)C(=O)c1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.CNC(=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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one?
The InChIKey is FNTIPFRNOXWLCP-FESUDLEGSA-N. The full InChI is InChI=1S/C34H30F2N2O3.C34H29F2NO3.C33H26ClF2NO3.C33H28F2N2O3/c1-38(2)34(41)24-8-5-22(6-9-24)31-4-3-13-37-33(31)26(14-21-15-27(35)19-28(36)16-21)18-30(40)17-25-10-7-23-11-12-29(39)20-32(23)25;1-2-33(40)25-6-3-5-23(16-25)31-7-4-12-37-34(31)26(13-21-14-27(35)19-28(36)15-21)18-30(39)17-24-9-8-22-10-11-29(38)20-32(22)24;1-19(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;1-36-33(40)23-7-4-21(5-8-23)30-3-2-12-37-32(30)25(13-20-14-26(34)18-27(35)15-20)17-29(39)16-24-9-6-22-10-11-28(38)19-31(22)24/h3-6,8-13,15-16,19-20,26,39H,7,14,17-18H2,1-2H3;3-7,9-12,14-16,19-20,26,38H,2,8,13,17-18H2,1H3;2-3,5-10,12-13,16-18,24,39H,4,11,14-15H2,1H3;2-5,7-12,14-15,18-19,25,38H,6,13,16-17H2,1H3,(H,36,40)/t2*26-;24-;25-/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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 2186.84 g/mol, XLogP of 28.70, 37 rotatable bonds, 5 hydrogen bond donors, and 16 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;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N,N-dimethylbenzamide;4-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-propanoylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 158088070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).