(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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one

C124H100BrF15N12O10 — CID 159154724

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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one (PubChem CID 159154724) has the molecular formula C124H100BrF15N12O10 and a molecular weight of 2283.11 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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one
• PubChem CID: 159154724
• Molecular Formula: C124H100BrF15N12O10
• Molecular Weight: 2283.11 g/mol
• Exact Mass: 2280.66
• 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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(Br)c(C#N)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2c(C(F)F)nc3ccccc32)Cc2cc(F)cc(F)c2)c1.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1nc2c(cc1C)CC=C2CC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc(C(C)=O)c1
• InChI: InChI=1S/C34H30F2N2O3.C32H25F4N3O2.C30H25F6N3O3.C28H20BrF3N4O2/c1-20-12-25-9-10-26(32(25)38-34(20)41-3)17-30(40)18-27(13-22-14-28(35)19-29(36)15-22)33-31(8-5-11-37-33)24-7-4-6-23(16-24)21(2)39;1-19(40)21-6-4-7-22(15-21)27-8-5-11-37-30(27)23(12-20-13-24(33)17-25(34)14-20)16-26(41)18-39-29-10-3-2-9-28(29)38-32(39)31(35)36;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(37)24-11-18(4-5-26(24)32)23-3-2-6-34-28(23)19(7-17-8-20(30)12-21(31)9-17)10-22(38)14-36-15-25(29)27(13-33)35-36/h4-8,10-12,14-16,19,27H,9,13,17-18H2,1-3H3;2-11,13-15,17,23,31H,12,16,18H2,1H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,15,19H,7,10,14H2,1H3/t27-;23-;20-;19-/m1111/s1
• InChIKey: KJSXUVZJJFDRMF-MAXSHCLBSA-N
• XLogP: 27.66
• TPSA: 296.72 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.11
LogP ≤ 5	27.66
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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one (CID 159154724) 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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(Br)c(C#N)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2c(C(F)F)nc3ccccc32)Cc2cc(F)cc(F)c2)c1.COCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.COc1nc2c(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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one?

The InChIKey is KJSXUVZJJFDRMF-MAXSHCLBSA-N. The full InChI is InChI=1S/C34H30F2N2O3.C32H25F4N3O2.C30H25F6N3O3.C28H20BrF3N4O2/c1-20-12-25-9-10-26(32(25)38-34(20)41-3)17-30(40)18-27(13-22-14-28(35)19-29(36)15-22)33-31(8-5-11-37-33)24-7-4-6-23(16-24)21(2)39;1-19(40)21-6-4-7-22(15-21)27-8-5-11-37-30(27)23(12-20-13-24(33)17-25(34)14-20)16-26(41)18-39-29-10-3-2-9-28(29)38-32(39)31(35)36;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(37)24-11-18(4-5-26(24)32)23-3-2-6-34-28(23)19(7-17-8-20(30)12-21(31)9-17)10-22(38)14-36-15-25(29)27(13-33)35-36/h4-8,10-12,14-16,19,27H,9,13,17-18H2,1-3H3;2-11,13-15,17,23,31H,12,16,18H2,1H3;3-7,9-10,12-14,20H,8,11,15-16H2,1-2H3;2-6,8-9,11-12,15,19H,7,10,14H2,1H3/t27-;23-;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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one has a molecular weight of 2283.11 g/mol, XLogP of 27.66, 40 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]-4-bromopyrazole-3-carbonitrile;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-1-[2-(difluoromethyl)benzimidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methoxy-3-methyl-5H-cyclopenta[b]pyridin-7-yl)pentan-2-one is sourced from PubChem (CID 159154724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).