(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one

C131H112F20N12O7 — CID 160650386

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one (PubChem CID 160650386) has the molecular formula C131H112F20N12O7 and a molecular weight of 2346.37 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one
• PubChem CID: 160650386
• Molecular Formula: C131H112F20N12O7
• Molecular Weight: 2346.37 g/mol
• Exact Mass: 2344.85
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(C)C)c3c2C(F)(F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(F)(F)F)C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3c2CCCC3)Cc2cc(F)cc(F)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1C1CC1CC2
• InChI: InChI=1S/C34H32F5N3O2.C34H28F5N3O.C32H23F8N3O2.C31H29F2N3O2/c1-19(2)31-28-6-4-10-34(38,39)33(28)42(41-31)18-26(44)15-23(12-21-13-24(35)17-25(36)14-21)32-27(7-5-11-40-32)22-8-9-30(37)29(16-22)20(3)43;35-25-12-19(13-26(36)17-25)11-24(31-28(5-2-10-40-31)22-7-6-20-3-1-4-21(20)14-22)15-27(43)18-42-32-29(9-8-23-16-30(23)32)33(41-42)34(37,38)39;1-15(44)23-11-17(4-5-26(23)35)22-3-2-6-41-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-43-30(32(38,39)40)27-29(42-43)24-13-25(24)31(27,36)37;1-20(37)22-6-4-7-23(15-22)28-8-5-11-34-31(28)24(12-21-13-25(32)17-26(33)14-21)16-27(38)18-36-19-35-29-9-2-3-10-30(29)36/h5,7-9,11,13-14,16-17,19,23H,4,6,10,12,15,18H2,1-3H3;1-2,4-7,10,12-14,17,23-24,30H,3,8-9,11,15-16,18H2;2-6,8-9,11-12,18,24-25H,7,10,13-14H2,1H3;4-8,11,13-15,17,19,24H,2-3,9-10,12,16,18H2,1H3/t23-;23?,24-,30?;18-,24?,25?;24-/m1111/s1
• InChIKey: RKILNHBKRGGPOY-FPSSOTGTSA-N
• XLogP: 30.02
• TPSA: 242.33 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.37
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one (CID 160650386) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(C)C)c3c2C(F)(F)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc3c(c2C(F)(F)F)C(F)(F)C2CC32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3c2CCCC3)Cc2cc(F)cc(F)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)C=CC2)Cn1nc(C(F)(F)F)c2c1C1CC1CC2.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one?

The InChIKey is RKILNHBKRGGPOY-FPSSOTGTSA-N. The full InChI is InChI=1S/C34H32F5N3O2.C34H28F5N3O.C32H23F8N3O2.C31H29F2N3O2/c1-19(2)31-28-6-4-10-34(38,39)33(28)42(41-31)18-26(44)15-23(12-21-13-24(35)17-25(36)14-21)32-27(7-5-11-40-32)22-8-9-30(37)29(16-22)20(3)43;35-25-12-19(13-26(36)17-25)11-24(31-28(5-2-10-40-31)22-7-6-20-3-1-4-21(20)14-22)15-27(43)18-42-32-29(9-8-23-16-30(23)32)33(41-42)34(37,38)39;1-15(44)23-11-17(4-5-26(23)35)22-3-2-6-41-28(22)18(7-16-8-19(33)12-20(34)9-16)10-21(45)14-43-30(32(38,39)40)27-29(42-43)24-13-25(24)31(27,36)37;1-20(37)22-6-4-7-23(15-22)28-8-5-11-34-31(28)24(12-21-13-25(32)17-26(33)14-21)16-27(38)18-36-19-35-29-9-2-3-10-30(29)36/h5,7-9,11,13-14,16-17,19,23H,4,6,10,12,15,18H2,1-3H3;1-2,4-7,10,12-14,17,23-24,30H,3,8-9,11,15-16,18H2;2-6,8-9,11-12,18,24-25H,7,10,13-14H2,1H3;4-8,11,13-15,17,19,24H,2-3,9-10,12,16,18H2,1H3/t23-;23?,24-,30?;18-,24?,25?;24-/m1111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one has a molecular weight of 2346.37 g/mol, XLogP of 30.02, 36 rotatable bonds, 0 hydrogen bond donors, and 19 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-(7,7-difluoro-3-propan-2-yl-5,6-dihydro-4H-indazol-1-yl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-8-yl]pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one is sourced from PubChem (CID 160650386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).