1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one

C125H99F25N14O7 — CID 160894778

About 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one

1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one (PubChem CID 160894778) has the molecular formula C125H99F25N14O7 and a molecular weight of 2384.21 g/mol. Its IUPAC name is 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one.

Molecular Properties

• Compound Name: 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
• PubChem CID: 160894778
• Molecular Formula: C125H99F25N14O7
• Molecular Weight: 2384.21 g/mol
• Exact Mass: 2382.74
• IUPAC Name: 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3=O)Cc2cc(F)cc(F)c2)ccc1F.CCc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cn1.Cc1ccc(-c2cncnc2[C@H](CC(=O)CC2=CCc3ccc(O)cc32)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)c2c1C(F)(F)CCC2(F)F
• InChI: InChI=1S/C32H24F7N3O3.C31H23F8N5O.C31H26F8N4O.C31H26F2N2O2/c1-16(43)24-13-18(4-5-25(24)35)23-3-2-8-40-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(44)15-42-30-27(29(41-42)31(36)37)26(45)6-7-32(30,38)39;32-20-7-16(8-21(33)11-20)6-18(26-23(13-40-15-42-26)19-9-17-2-1-3-24(17)41-12-19)10-22(45)14-44-28-25(27(43-44)29(34)35)30(36,37)4-5-31(28,38)39;1-2-22-6-5-18(15-41-22)24-4-3-9-40-26(24)19(10-17-11-20(32)14-21(33)12-17)13-23(44)16-43-28-25(27(42-43)29(34)35)30(36,37)7-8-31(28,38)39;1-19-2-4-22(5-3-19)30-17-34-18-35-31(30)24(10-20-11-25(32)15-26(33)12-20)14-28(37)13-23-7-6-21-8-9-27(36)16-29(21)23/h2-5,8,10-11,13-14,19,31H,6-7,9,12,15H2,1H3;1-2,7-9,11-13,15,18,29H,3-6,10,14H2;3-6,9,11-12,14-15,19,29H,2,7-8,10,13,16H2,1H3;2-5,7-9,11-12,15-18,24,36H,6,10,13-14H2,1H3/t19-;18-;19-;24-/m1110/s1
• InChIKey: SOSMROBCYPQSCW-GRLVPSLCSA-N
• XLogP: 29.87
• TPSA: 279.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.21
LogP ≤ 5	29.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

The IUPAC name of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one (CID 160894778) is 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one.

What is the SMILES notation for 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

The canonical SMILES for 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3=O)Cc2cc(F)cc(F)c2)ccc1F.CCc1ccc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)Cc2cc(F)cc(F)c2)cn1.Cc1ccc(-c2cncnc2[C@H](CC(=O)CC2=CCc3ccc(O)cc32)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)c2c1C(F)(F)CCC2(F)F.

What is the InChIKey of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

The InChIKey is SOSMROBCYPQSCW-GRLVPSLCSA-N. The full InChI is InChI=1S/C32H24F7N3O3.C31H23F8N5O.C31H26F8N4O.C31H26F2N2O2/c1-16(43)24-13-18(4-5-25(24)35)23-3-2-8-40-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(44)15-42-30-27(29(41-42)31(36)37)26(45)6-7-32(30,38)39;32-20-7-16(8-21(33)11-20)6-18(26-23(13-40-15-42-26)19-9-17-2-1-3-24(17)41-12-19)10-22(45)14-44-28-25(27(43-44)29(34)35)30(36,37)4-5-31(28,38)39;1-2-22-6-5-18(15-41-22)24-4-3-9-40-26(24)19(10-17-11-20(32)14-21(33)12-17)13-23(44)16-43-28-25(27(42-43)29(34)35)30(36,37)7-8-31(28,38)39;1-19-2-4-22(5-3-19)30-17-34-18-35-31(30)24(10-20-11-25(32)15-26(33)12-20)14-28(37)13-23-7-6-21-8-9-27(36)16-29(21)23/h2-5,8,10-11,13-14,19,31H,6-7,9,12,15H2,1H3;1-2,7-9,11-13,15,18,29H,3-6,10,14H2;3-6,9,11-12,14-15,19,29H,2,7-8,10,13,16H2,1H3;2-5,7-9,11-12,15-18,24,36H,6,10,13-14H2,1H3/t19-;18-;19-;24-/m1110/s1.

What are the key properties of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one has a molecular weight of 2384.21 g/mol, XLogP of 29.87, 37 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-7,7-difluoro-5,6-dihydroindazol-4-one;(4R)-4-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(6-ethyl-3-pyridinyl)-2-pyridinyl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one is sourced from PubChem (CID 160894778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).