5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole

C89H76F21N11O5 — CID 157264697

About 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole

5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole (PubChem CID 157264697) has the molecular formula C89H76F21N11O5 and a molecular weight of 1778.62 g/mol. Its IUPAC name is 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole.

Molecular Properties

• Compound Name: 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole
• PubChem CID: 157264697
• Molecular Formula: C89H76F21N11O5
• Molecular Weight: 1778.62 g/mol
• Exact Mass: 1777.57
• IUPAC Name: 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole
• SMILES: CC(C)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cccc(-c2ccc3c(c2)CCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1.O=c1[nH]cc(-c2ccc3c(c2)CCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c(=O)[nH]1.OC(c1ccc(CN2CCc3cc(-c4cn[nH]c4C(F)(F)F)ccc32)cc1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C24H20F6N2O.C22H16F9N3O.C22H17F6N3O3.C21H23N3/c1-15-3-2-4-20(31-15)17-7-10-21-18(13-17)11-12-32(21)14-16-5-8-19(9-6-16)22(33,23(25,26)27)24(28,29)30;23-20(24,25)18-16(10-32-33-18)13-3-6-17-14(9-13)7-8-34(17)11-12-1-4-15(5-2-12)19(35,21(26,27)28)22(29,30)31;23-21(24,25)20(34,22(26,27)28)15-4-1-12(2-5-15)11-31-8-7-14-9-13(3-6-17(14)31)16-10-29-19(33)30-18(16)32;1-15(2)17-5-3-16(4-6-17)14-24-10-9-19-11-18(7-8-21(19)24)20-12-22-23-13-20/h2-10,13,33H,11-12,14H2,1H3;1-6,9-10,35H,7-8,11H2,(H,32,33);1-6,9-10,34H,7-8,11H2,(H2,29,30,32,33);3-8,11-13,15H,9-10,14H2,1-2H3,(H,22,23)
• InChIKey: AXWAYNVYFAIHNI-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 209.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1778.62
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole?

The IUPAC name of 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole (CID 157264697) is 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole.

What is the SMILES notation for 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole?

The canonical SMILES for 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole is CC(C)c1ccc(CN2CCc3cc(-c4cn[nH]c4)ccc32)cc1.Cc1cccc(-c2ccc3c(c2)CCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)n1.O=c1[nH]cc(-c2ccc3c(c2)CCN3Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c(=O)[nH]1.OC(c1ccc(CN2CCc3cc(-c4cn[nH]c4C(F)(F)F)ccc32)cc1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole?

The InChIKey is AXWAYNVYFAIHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N2O.C22H16F9N3O.C22H17F6N3O3.C21H23N3/c1-15-3-2-4-20(31-15)17-7-10-21-18(13-17)11-12-32(21)14-16-5-8-19(9-6-16)22(33,23(25,26)27)24(28,29)30;23-20(24,25)18-16(10-32-33-18)13-3-6-17-14(9-13)7-8-34(17)11-12-1-4-15(5-2-12)19(35,21(26,27)28)22(29,30)31;23-21(24,25)20(34,22(26,27)28)15-4-1-12(2-5-15)11-31-8-7-14-9-13(3-6-17(14)31)16-10-29-19(33)30-18(16)32;1-15(2)17-5-3-16(4-6-17)14-24-10-9-19-11-18(7-8-21(19)24)20-12-22-23-13-20/h2-10,13,33H,11-12,14H2,1H3;1-6,9-10,35H,7-8,11H2,(H,32,33);1-6,9-10,34H,7-8,11H2,(H2,29,30,32,33);3-8,11-13,15H,9-10,14H2,1-2H3,(H,22,23).

What are the key properties of 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole?

5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole has a molecular weight of 1778.62 g/mol, XLogP of 20.27, 16 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]-1H-pyrimidine-2,4-dione;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(6-methyl-2-pyridinyl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1-[(4-propan-2-ylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 157264697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).