(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one

C157H117F27N14O9 — CID 159849257

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one (PubChem CID 159849257) has the molecular formula C157H117F27N14O9 and a molecular weight of 2856.70 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
• PubChem CID: 159849257
• Molecular Formula: C157H117F27N14O9
• Molecular Weight: 2856.70 g/mol
• Exact Mass: 2854.87
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one
• SMILES: C#Cc1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)ccn1.C#Cc1cc(-c2cccnc2[C@@H](CC(=O)Cc2cccc3ccc(OC)cc23)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F
• InChI: InChI=1S/C35H26F3NO2.C32H24F9N3O2.C32H23F3N2O.C30H22F6N4O2.C28H22F6N4O2/c1-3-23-17-26(10-12-34(23)38)32-8-5-13-39-35(32)27(14-22-15-28(36)20-29(37)16-22)19-30(40)18-25-7-4-6-24-9-11-31(41-2)21-33(24)25;1-16(45)24-13-18(4-5-25(24)35)23-3-2-8-42-27(23)19(9-17-10-20(33)14-21(34)11-17)12-22(46)15-44-29-26(28(43-44)30(36)37)31(38,39)6-7-32(29,40)41;1-2-28-15-23(9-11-36-28)30-4-3-10-37-32(30)24(12-20-13-26(34)18-27(35)14-20)17-29(38)16-22-6-5-21-7-8-25(33)19-31(21)22;1-16-26(14-37)29(30(34,35)36)39-40(16)15-23(42)11-20(8-18-9-21(31)13-22(32)10-18)28-24(4-3-7-38-28)19-5-6-27(33)25(12-19)17(2)41;1-15(39)24-12-18(5-6-25(24)31)23-4-3-7-35-26(23)19(8-17-9-20(29)13-21(30)10-17)11-22(40)14-38-16(2)36-27(37-38)28(32,33)34/h1,4-13,15-17,20-21,27H,14,18-19H2,2H3;2-5,8,10-11,13-14,19,30H,6-7,9,12,15H2,1H3;1,3-4,6-11,13-15,18-19,24H,5,12,16-17H2;3-7,9-10,12-13,20H,8,11,15H2,1-2H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;19-;24-;20-;19-/m11111/s1
• InChIKey: NPSGQONVHWNBSQ-KDCVYQHESA-N
• XLogP: 36.18
• TPSA: 313.27 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 45
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2856.70
LogP ≤ 5	36.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one (CID 159849257) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one is C#Cc1cc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)ccn1.C#Cc1cc(-c2cccnc2[C@@H](CC(=O)Cc2cccc3ccc(OC)cc23)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c(C#N)c2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)nc2C)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?

The InChIKey is NPSGQONVHWNBSQ-KDCVYQHESA-N. The full InChI is InChI=1S/C35H26F3NO2.C32H24F9N3O2.C32H23F3N2O.C30H22F6N4O2.C28H22F6N4O2/c1-3-23-17-26(10-12-34(23)38)32-8-5-13-39-35(32)27(14-22-15-28(36)20-29(37)16-22)19-30(40)18-25-7-4-6-24-9-11-31(41-2)21-33(24)25;1-16(45)24-13-18(4-5-25(24)35)23-3-2-8-42-27(23)19(9-17-10-20(33)14-21(34)11-17)12-22(46)15-44-29-26(28(43-44)30(36)37)31(38,39)6-7-32(29,40)41;1-2-28-15-23(9-11-36-28)30-4-3-10-37-32(30)24(12-20-13-26(34)18-27(35)14-20)17-29(38)16-22-6-5-21-7-8-25(33)19-31(21)22;1-16-26(14-37)29(30(34,35)36)39-40(16)15-23(42)11-20(8-18-9-21(31)13-22(32)10-18)28-24(4-3-7-38-28)19-5-6-27(33)25(12-19)17(2)41;1-15(39)24-12-18(5-6-25(24)31)23-4-3-7-35-26(23)19(8-17-9-20(29)13-21(30)10-17)11-22(40)14-38-16(2)36-27(37-38)28(32,33)34/h1,4-13,15-17,20-21,27H,14,18-19H2,2H3;2-5,8,10-11,13-14,19,30H,6-7,9,12,15H2,1H3;1,3-4,6-11,13-15,18-19,24H,5,12,16-17H2;3-7,9-10,12-13,20H,8,11,15H2,1-2H3;3-7,9-10,12-13,19H,8,11,14H2,1-2H3/t27-;19-;24-;20-;19-/m11111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one has a molecular weight of 2856.70 g/mol, XLogP of 36.18, 45 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile;(4R)-5-(3,5-difluorophenyl)-4-[3-(3-ethynyl-4-fluorophenyl)-2-pyridinyl]-1-(7-methoxynaphthalen-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(2-ethynyl-4-pyridinyl)-2-pyridinyl]-1-(6-fluoro-3H-inden-1-yl)pentan-2-one is sourced from PubChem (CID 159849257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).