6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

C130H130Cl2F18N14O7 — CID 167671238

About 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 167671238) has the molecular formula C130H130Cl2F18N14O7 and a molecular weight of 2413.43 g/mol. Its IUPAC name is 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
• PubChem CID: 167671238
• Molecular Formula: C130H130Cl2F18N14O7
• Molecular Weight: 2413.43 g/mol
• Exact Mass: 2410.93
• IUPAC Name: 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
• SMILES: CC(C)N1Cc2c(cc(CN3CCC(c4ccccc4)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4ccc(Cl)cc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4cccc(C#N)c4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4cccc(Cl)c4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4cccnc4C3)cc2C(F)(F)F)C1=O.COc1ccc2c(c1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2
• InChI: InChI=1S/C23H25F3N2O2.C23H25F3N2O.C22H20F3N3O.2C21H20ClF3N2O.C20H20F3N3O/c1-14(2)28-13-20-19(22(28)29)8-15(9-21(20)23(24,25)26)11-27-7-6-16-4-5-18(30-3)10-17(16)12-27;1-15(2)28-14-20-19(22(28)29)10-16(11-21(20)23(24,25)26)12-27-9-8-18(13-27)17-6-4-3-5-7-17;1-13(2)28-12-19-17(21(28)29)6-14(7-20(19)22(23,24)25)9-27-10-16-5-3-4-15(8-26)18(16)11-27;1-12(2)27-11-18-17(20(27)28)5-13(6-19(18)21(23,24)25)8-26-9-14-3-4-16(22)7-15(14)10-26;1-12(2)27-11-17-15(20(27)28)6-13(7-18(17)21(23,24)25)8-26-9-14-4-3-5-19(22)16(14)10-26;1-12(2)26-10-16-15(19(26)27)6-13(7-17(16)20(21,22)23)8-25-9-14-4-3-5-24-18(14)11-25/h4-5,8-10,14H,6-7,11-13H2,1-3H3;3-7,10-11,15,18H,8-9,12-14H2,1-2H3;3-7,13H,9-12H2,1-2H3;2*3-7,12H,8-11H2,1-2H3;3-7,12H,8-11H2,1-2H3
• InChIKey: UDHGELHOXAWMSV-UHFFFAOYSA-N
• XLogP: 28.61
• TPSA: 187.21 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2413.43
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

The IUPAC name of 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (CID 167671238) is 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.

What is the SMILES notation for 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

The canonical SMILES for 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is CC(C)N1Cc2c(cc(CN3CCC(c4ccccc4)C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4ccc(Cl)cc4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4cccc(C#N)c4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4cccc(Cl)c4C3)cc2C(F)(F)F)C1=O.CC(C)N1Cc2c(cc(CN3Cc4cccnc4C3)cc2C(F)(F)F)C1=O.COc1ccc2c(c1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2.

What is the InChIKey of 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

The InChIKey is UDHGELHOXAWMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2.C23H25F3N2O.C22H20F3N3O.2C21H20ClF3N2O.C20H20F3N3O/c1-14(2)28-13-20-19(22(28)29)8-15(9-21(20)23(24,25)26)11-27-7-6-16-4-5-18(30-3)10-17(16)12-27;1-15(2)28-14-20-19(22(28)29)10-16(11-21(20)23(24,25)26)12-27-9-8-18(13-27)17-6-4-3-5-7-17;1-13(2)28-12-19-17(21(28)29)6-14(7-20(19)22(23,24)25)9-27-10-16-5-3-4-15(8-26)18(16)11-27;1-12(2)27-11-18-17(20(27)28)5-13(6-19(18)21(23,24)25)8-26-9-14-3-4-16(22)7-15(14)10-26;1-12(2)27-11-17-15(20(27)28)6-13(7-18(17)21(23,24)25)8-26-9-14-4-3-5-19(22)16(14)10-26;1-12(2)26-10-16-15(19(26)27)6-13(7-17(16)20(21,22)23)8-25-9-14-4-3-5-24-18(14)11-25/h4-5,8-10,14H,6-7,11-13H2,1-3H3;3-7,10-11,15,18H,8-9,12-14H2,1-2H3;3-7,13H,9-12H2,1-2H3;2*3-7,12H,8-11H2,1-2H3;3-7,12H,8-11H2,1-2H3.

What are the key properties of 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 2413.43 g/mol, XLogP of 28.61, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;2-[[3-oxo-2-propan-2-yl-7-(trifluoromethyl)-1H-isoindol-5-yl]methyl]-1,3-dihydroisoindole-4-carbonitrile;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 167671238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).