(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

C156H130F17N15O11 — CID 159735942

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (PubChem CID 159735942) has the molecular formula C156H130F17N15O11 and a molecular weight of 2713.82 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• PubChem CID: 159735942
• Molecular Formula: C156H130F17N15O11
• Molecular Weight: 2713.82 g/mol
• Exact Mass: 2711.98
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
• SMILES: CC(=O)c1cccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.CCOCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2c(C(CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)nc[nH]c2=O)cc1.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C1CC1CC2
• InChI: InChI=1S/C32H27F4N5O.C32H26F2N2O3.C31H27F6N3O3.C31H25F3N2O2.C30H25F2N3O2/c33-22-7-17(8-23(34)12-22)6-20(29-27(14-37-16-39-29)21-9-19-2-1-3-28(19)38-13-21)10-24(42)15-41-31-25(30(40-41)32(35)36)5-4-18-11-26(18)31;1-19(37)22-3-2-4-23(12-22)31-17-35-18-36-32(31)25(9-20-10-26(33)15-27(34)11-20)14-29(39)13-24-6-5-21-7-8-28(38)16-30(21)24;1-3-43-17-22-15-40(39-30(22)31(35,36)37)16-25(42)12-21(9-19-10-23(32)14-24(33)11-19)29-26(5-4-8-38-29)20-6-7-28(34)27(13-20)18(2)41;1-18-2-4-21(5-3-18)29-30(35-17-36-31(29)38)23(10-19-11-25(33)15-26(34)12-19)14-27(37)13-22-7-6-20-8-9-24(32)16-28(20)22;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22/h1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;2-4,6-8,10-12,15-18,25,38H,5,9,13-14H2,1H3;4-8,10-11,13-15,21H,3,9,12,16-17H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38);2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37)/t18?,20-,26?;25-;21-;;23-/m111.1/s1
• InChIKey: NBVOJGBGLJLHIP-HIOFJAAWSA-N
• XLogP: 32.52
• TPSA: 366.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2713.82
LogP ≤ 5	32.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (CID 159735942) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is CC(=O)c1cccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.CCOCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2c(C(CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)nc[nH]c2=O)cc1.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C1CC1CC2.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

The InChIKey is NBVOJGBGLJLHIP-HIOFJAAWSA-N. The full InChI is InChI=1S/C32H27F4N5O.C32H26F2N2O3.C31H27F6N3O3.C31H25F3N2O2.C30H25F2N3O2/c33-22-7-17(8-23(34)12-22)6-20(29-27(14-37-16-39-29)21-9-19-2-1-3-28(19)38-13-21)10-24(42)15-41-31-25(30(40-41)32(35)36)5-4-18-11-26(18)31;1-19(37)22-3-2-4-23(12-22)31-17-35-18-36-32(31)25(9-20-10-26(33)15-27(34)11-20)14-29(39)13-24-6-5-21-7-8-28(38)16-30(21)24;1-3-43-17-22-15-40(39-30(22)31(35,36)37)16-25(42)12-21(9-19-10-23(32)14-24(33)11-19)29-26(5-4-8-38-29)20-6-7-28(34)27(13-20)18(2)41;1-18-2-4-21(5-3-18)29-30(35-17-36-31(29)38)23(10-19-11-25(33)15-26(34)12-19)14-27(37)13-22-7-6-20-8-9-24(32)16-28(20)22;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22/h1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;2-4,6-8,10-12,15-18,25,38H,5,9,13-14H2,1H3;4-8,10-11,13-15,21H,3,9,12,16-17H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38);2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37)/t18?,20-,26?;25-;21-;;23-/m111.1/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one has a molecular weight of 2713.82 g/mol, XLogP of 32.52, 46 rotatable bonds, 3 hydrogen bond donors, and 24 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-(ethoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[1-(3,5-difluorophenyl)-5-(6-fluoro-3H-inden-1-yl)-4-oxopentan-2-yl]-5-(4-methylphenyl)-1H-pyrimidin-6-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 159735942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).