(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one

C127H103F16N11O11 — CID 159698683

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one (PubChem CID 159698683) has the molecular formula C127H103F16N11O11 and a molecular weight of 2263.25 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
• PubChem CID: 159698683
• Molecular Formula: C127H103F16N11O11
• Molecular Weight: 2263.25 g/mol
• Exact Mass: 2261.76
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2c(=O)cc(C)c3ccccc32)Cc2cc(F)cc(F)c2)ccn1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C#N)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1cc2c(cc1C)CC=C2CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(C)=O)c1
• InChI: InChI=1S/C35H31F2NO3.C33H27F2N3O3.C30H25F6N3O3.C29H20F6N4O2/c1-21-12-26-9-10-27(33(26)20-34(21)41-3)17-31(40)18-28(13-23-14-29(36)19-30(37)15-23)35-32(8-5-11-38-35)25-7-4-6-24(16-25)22(2)39;1-20-12-32(41)38(31-8-4-3-6-28(20)31)19-27(40)16-24(13-22-14-25(34)18-26(35)15-22)33-29(7-5-10-37-33)23-9-11-36-30(17-23)21(2)39;1-17(40)26-12-19(5-6-27(26)33)25-4-3-7-37-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(41)15-39-14-21(16-42-2)29(38-39)30(34,35)36;1-16(40)25-11-18(4-5-26(25)32)24-3-2-6-37-27(24)19(7-17-8-21(30)12-22(31)9-17)10-23(41)15-39-14-20(13-36)28(38-39)29(33,34)35/h4-8,10-12,14-16,19-20,28H,9,13,17-18H2,1-3H3;3-12,14-15,17-18,24H,13,16,19H2,1-2H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,14,19H,7,10,15H2,1H3/t28-;24-;20-;19-/m1111/s1
• InChIKey: MXIMZAICZZLAQC-MOSWKZKASA-N
• XLogP: 27.25
• TPSA: 300.90 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 39
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2263.25
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one (CID 159698683) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2c(=O)cc(C)c3ccccc32)Cc2cc(F)cc(F)c2)ccn1.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C#N)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1cc2c(cc1C)CC=C2CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(C)=O)c1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one?

The InChIKey is MXIMZAICZZLAQC-MOSWKZKASA-N. The full InChI is InChI=1S/C35H31F2NO3.C33H27F2N3O3.C30H25F6N3O3.C29H20F6N4O2/c1-21-12-26-9-10-27(33(26)20-34(21)41-3)17-31(40)18-28(13-23-14-29(36)19-30(37)15-23)35-32(8-5-11-38-35)25-7-4-6-24(16-25)22(2)39;1-20-12-32(41)38(31-8-4-3-6-28(20)31)19-27(40)16-24(13-22-14-25(34)18-26(35)15-22)33-29(7-5-10-37-33)23-9-11-36-30(17-23)21(2)39;1-17(40)26-12-19(5-6-27(26)33)25-4-3-7-37-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(41)15-39-14-21(16-42-2)29(38-39)30(34,35)36;1-16(40)25-11-18(4-5-26(25)32)24-3-2-6-37-27(24)19(7-17-8-21(30)12-22(31)9-17)10-23(41)15-39-14-20(13-36)28(38-39)29(33,34)35/h4-8,10-12,14-16,19-20,28H,9,13,17-18H2,1-3H3;3-12,14-15,17-18,24H,13,16,19H2,1-2H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,14,19H,7,10,15H2,1H3/t28-;24-;20-;19-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one has a molecular weight of 2263.25 g/mol, XLogP of 27.25, 39 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-methoxy-5-methyl-3H-inden-1-yl)pentan-2-one;1-[(4R)-4-[3-(2-acetyl-4-pyridinyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one is sourced from PubChem (CID 159698683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).