(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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

C159H131F17N14O12 — CID 158575211

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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 (PubChem CID 158575211) has the molecular formula C159H131F17N14O12 and a molecular weight of 2752.85 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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
• PubChem CID: 158575211
• Molecular Formula: C159H131F17N14O12
• Molecular Weight: 2752.85 g/mol
• Exact Mass: 2750.98
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cccc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2c(C(CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)nc[nH]c2=O)cc1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncncc1-c1cnc2c(c1)C=CC2)Cn1nc(C(F)F)c2c1C1CC1CC2
• InChI: InChI=1S/C32H27F6N3O3.C32H27F4N5O.2C32H26F2N2O3.C31H25F3N2O2/c1-17(42)27-13-19(4-7-28(27)35)25-3-2-8-39-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-41-29-15-23(43)5-6-26(29)31(40-41)32(36,37)38;33-22-7-17(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;1-20(37)28-17-22(11-12-29(28)34)27-9-5-13-35-32(27)24(14-21-6-4-8-25(33)15-21)16-26(38)19-36-30-10-3-2-7-23(30)18-31(36)39;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;1-18-2-4-21(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/h2-4,7-8,10-11,13-14,20,23,43H,5-6,9,12,15-16H2,1H3;1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;2-13,15,17,24H,14,16,18-19H2,1H3;2-4,6-8,10-12,15-18,25,38H,5,9,13-14H2,1H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38)/t20-,23?;18?,20-,26?;24-;25-;/m1111./s1
• InChIKey: HSOOVTYGZZDNEU-KXBBQYEPSA-N
• XLogP: 32.20
• TPSA: 368.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 44
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2752.85
LogP ≤ 5	32.20
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-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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 (CID 158575211) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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 is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cccc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(O)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccc(-c2c(C(CC(=O)CC3=CCc4ccc(F)cc43)Cc3cc(F)cc(F)c3)nc[nH]c2=O)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-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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?

The InChIKey is HSOOVTYGZZDNEU-KXBBQYEPSA-N. The full InChI is InChI=1S/C32H27F6N3O3.C32H27F4N5O.2C32H26F2N2O3.C31H25F3N2O2/c1-17(42)27-13-19(4-7-28(27)35)25-3-2-8-39-30(25)20(9-18-10-21(33)14-22(34)11-18)12-24(44)16-41-29-15-23(43)5-6-26(29)31(40-41)32(36,37)38;33-22-7-17(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;1-20(37)28-17-22(11-12-29(28)34)27-9-5-13-35-32(27)24(14-21-6-4-8-25(33)15-21)16-26(38)19-36-30-10-3-2-7-23(30)18-31(36)39;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;1-18-2-4-21(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/h2-4,7-8,10-11,13-14,20,23,43H,5-6,9,12,15-16H2,1H3;1-2,7-9,12-14,16,18,20,26,32H,3-6,10-11,15H2;2-13,15,17,24H,14,16,18-19H2,1H3;2-4,6-8,10-12,15-18,25,38H,5,9,13-14H2,1H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,36,38)/t20-,23?;18?,20-,26?;24-;25-;/m1111./s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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 has a molecular weight of 2752.85 g/mol, XLogP of 32.20, 44 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-[6-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3-fluorophenyl)-2-oxopentyl]-3H-indol-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 is sourced from PubChem (CID 158575211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).