1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

C129H108F26N16O9 — CID 161402764

About 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (PubChem CID 161402764) has the molecular formula C129H108F26N16O9 and a molecular weight of 2520.33 g/mol. Its IUPAC name is 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

Molecular Properties

• Compound Name: 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
• PubChem CID: 161402764
• Molecular Formula: C129H108F26N16O9
• Molecular Weight: 2520.33 g/mol
• Exact Mass: 2518.81
• IUPAC Name: 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cnc1N
• InChI: InChI=1S/C34H29F6N3O3.C32H28F5N5O2.C32H26F5N3O3.C31H25F10N5O/c1-18(44)26-13-20(6-7-27(26)37)25-5-4-8-41-31(25)21(9-19-10-22(35)14-23(36)11-19)12-24(45)17-43-28-15-33(2,3)16-29(46)30(28)32(42-43)34(38,39)40;1-18-28(16-38)31(32(35,36)37)40-42(18)17-25(44)13-22(10-20-11-23(33)15-24(34)12-20)30-26(6-5-9-39-30)21-7-8-29(41(3)4)27(14-21)19(2)43;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-29(36,37)22-11-17(13-44-28(22)42)21-3-2-6-43-24(21)16(7-15-8-18(32)12-19(33)9-15)10-20(47)14-46-26-23(25(45-46)27(34)35)30(38,39)4-5-31(26,40)41/h4-8,10-11,13-14,21H,9,12,15-17H2,1-3H3;5-9,11-12,14-15,22H,10,13,17H2,1-4H3;3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;2-3,6,8-9,11-13,16,27H,4-5,7,10,14H2,1H3,(H2,42,44)/t21-;22-;20-;16-/m1111/s1
• InChIKey: VULHUZGECYJDHZ-ZTCVFWMISA-N
• XLogP: 29.62
• TPSA: 342.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 39
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.33
LogP ≤ 5	29.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The IUPAC name of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (CID 161402764) is 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

What is the SMILES notation for 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The canonical SMILES for 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1N(C)C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(F)(F)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cnc1N.

What is the InChIKey of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

The InChIKey is VULHUZGECYJDHZ-ZTCVFWMISA-N. The full InChI is InChI=1S/C34H29F6N3O3.C32H28F5N5O2.C32H26F5N3O3.C31H25F10N5O/c1-18(44)26-13-20(6-7-27(26)37)25-5-4-8-41-31(25)21(9-19-10-22(35)14-23(36)11-19)12-24(45)17-43-28-15-33(2,3)16-29(46)30(28)32(42-43)34(38,39)40;1-18-28(16-38)31(32(35,36)37)40-42(18)17-25(44)13-22(10-20-11-23(33)15-24(34)12-20)30-26(6-5-9-39-30)21-7-8-29(41(3)4)27(14-21)19(2)43;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-29(36,37)22-11-17(13-44-28(22)42)21-3-2-6-43-24(21)16(7-15-8-18(32)12-19(33)9-15)10-20(47)14-46-26-23(25(45-46)27(34)35)30(38,39)4-5-31(26,40)41/h4-8,10-11,13-14,21H,9,12,15-17H2,1-3H3;5-9,11-12,14-15,22H,10,13,17H2,1-4H3;3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;2-3,6,8-9,11-13,16,27H,4-5,7,10,14H2,1H3,(H2,42,44)/t21-;22-;20-;16-/m1111/s1.

What are the key properties of 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?

1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one has a molecular weight of 2520.33 g/mol, XLogP of 29.62, 39 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-4-[3-[3-acetyl-4-(dimethylamino)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is sourced from PubChem (CID 161402764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).