5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one

C142H131F7N16O8S3 — CID 159178849

About 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one

5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one (PubChem CID 159178849) has the molecular formula C142H131F7N16O8S3 and a molecular weight of 2418.90 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one
• PubChem CID: 159178849
• Molecular Formula: C142H131F7N16O8S3
• Molecular Weight: 2418.90 g/mol
• Exact Mass: 2416.94
• IUPAC Name: 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one
• SMILES: Cc1ccccc1-c1scnc1C(CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1scnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1.Cc1nc(-c2ccccc2)c(C(CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2ccccc2)s1.Cc1nn(CC(=O)CC(Cc2ccccc2)c2nnc(C)n2-c2ccccc2)c2c1CCCC2.O=C(Cc1c[nH]c2ccc(O)cc12)CC(Cc1ccccc1)c1cnnn1-c1ccccc1
• InChI: InChI=1S/C29H26F5N3OS.C29H24F2N2O2S.C29H26N2O2S.C28H31N5O.C27H24N4O2/c1-17-6-2-3-7-23(17)27-26(35-16-39-27)19(10-18-11-20(30)14-21(31)12-18)13-22(38)15-37-25-9-5-4-8-24(25)28(36-37)29(32,33)34;1-17-4-2-3-5-25(17)29-28(33-16-36-29)19(8-18-9-21(30)13-22(31)10-18)11-24(35)12-20-15-32-27-7-6-23(34)14-26(20)27;1-19-31-28(21-10-6-3-7-11-21)29(34-19)22(14-20-8-4-2-5-9-20)15-25(33)16-23-18-30-27-13-12-24(32)17-26(23)27;1-20-26-15-9-10-16-27(26)32(31-20)19-25(34)18-23(17-22-11-5-3-6-12-22)28-30-29-21(2)33(28)24-13-7-4-8-14-24;32-23-11-12-26-25(16-23)21(17-28-26)15-24(33)14-20(13-19-7-3-1-4-8-19)27-18-29-30-31(27)22-9-5-2-6-10-22/h2-3,6-7,11-12,14,16,19H,4-5,8-10,13,15H2,1H3;2-7,9-10,13-16,19,32,34H,8,11-12H2,1H3;2-13,17-18,22,30,32H,14-16H2,1H3;3-8,11-14,23H,9-10,15-19H2,1-2H3;1-12,16-18,20,28,32H,13-15H2
• InChIKey: KMPYCVYPOVJHAN-UHFFFAOYSA-N
• XLogP: 31.35
• TPSA: 329.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2418.90
LogP ≤ 5	31.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?

The IUPAC name of 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one (CID 159178849) is 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one.

What is the SMILES notation for 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?

The canonical SMILES for 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one is Cc1ccccc1-c1scnc1C(CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1scnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1.Cc1nc(-c2ccccc2)c(C(CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2ccccc2)s1.Cc1nn(CC(=O)CC(Cc2ccccc2)c2nnc(C)n2-c2ccccc2)c2c1CCCC2.O=C(Cc1c[nH]c2ccc(O)cc12)CC(Cc1ccccc1)c1cnnn1-c1ccccc1.

What is the InChIKey of 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?

The InChIKey is KMPYCVYPOVJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F5N3OS.C29H24F2N2O2S.C29H26N2O2S.C28H31N5O.C27H24N4O2/c1-17-6-2-3-7-23(17)27-26(35-16-39-27)19(10-18-11-20(30)14-21(31)12-18)13-22(38)15-37-25-9-5-4-8-24(25)28(36-37)29(32,33)34;1-17-4-2-3-5-25(17)29-28(33-16-36-29)19(8-18-9-21(30)13-22(31)10-18)11-24(35)12-20-15-32-27-7-6-23(34)14-26(20)27;1-19-31-28(21-10-6-3-7-11-21)29(34-19)22(14-20-8-4-2-5-9-20)15-25(33)16-23-18-30-27-13-12-24(32)17-26(23)27;1-20-26-15-9-10-16-27(26)32(31-20)19-25(34)18-23(17-22-11-5-3-6-12-22)28-30-29-21(2)33(28)24-13-7-4-8-14-24;32-23-11-12-26-25(16-23)21(17-28-26)15-24(33)14-20(13-19-7-3-1-4-8-19)27-18-29-30-31(27)22-9-5-2-6-10-22/h2-3,6-7,11-12,14,16,19H,4-5,8-10,13,15H2,1H3;2-7,9-10,13-16,19,32,34H,8,11-12H2,1H3;2-13,17-18,22,30,32H,14-16H2,1H3;3-8,11-14,23H,9-10,15-19H2,1-2H3;1-12,16-18,20,28,32H,13-15H2.

What are the key properties of 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?

5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one has a molecular weight of 2418.90 g/mol, XLogP of 31.35, 40 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-5-phenylpentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-5-phenyl-4-(3-phenyltriazol-4-yl)pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one is sourced from PubChem (CID 159178849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).