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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one

C124H138ClF18N13O9 — CID 167562932

About 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 167562932) has the molecular formula C124H138ClF18N13O9 and a molecular weight of 2331.97 g/mol. Its IUPAC name is 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
• PubChem CID: 167562932
• Molecular Formula: C124H138ClF18N13O9
• Molecular Weight: 2331.97 g/mol
• Exact Mass: 2330.01
• IUPAC Name: 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;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(CN3Cc4cccnc4C3)cc2C(F)(F)F)C1=O.CC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(C(C)C)C3=O)CC(C)O1.CC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(C(C)C)C3=O)CCO1.COc1ccc2c(c1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2
• InChI: InChI=1S/C23H25F3N2O2.C23H25F3N2O.C21H20ClF3N2O.C20H20F3N3O.C19H25F3N2O2.C18H23F3N2O2/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;1-12(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)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;1-11(2)24-10-16-15(18(24)25)5-14(6-17(16)19(20,21)22)9-23-7-12(3)26-13(4)8-23;1-11(2)23-10-15-14(17(23)24)6-13(7-16(15)18(19,20)21)9-22-4-5-25-12(3)8-22/h4-5,8-10,14H,6-7,11-13H2,1-3H3;3-7,10-11,15,18H,8-9,12-14H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;5-6,11-13H,7-10H2,1-4H3;6-7,11-12H,4-5,8-10H2,1-3H3
• InChIKey: DXBWJDODCFGEFD-UHFFFAOYSA-N
• XLogP: 25.88
• TPSA: 181.88 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2331.97
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

The IUPAC name of 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one (CID 167562932) is 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one.

What is the SMILES notation for 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

The canonical SMILES for 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;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(CN3Cc4cccnc4C3)cc2C(F)(F)F)C1=O.CC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(C(C)C)C3=O)CC(C)O1.CC1CN(Cc2cc3c(c(C(F)(F)F)c2)CN(C(C)C)C3=O)CCO1.COc1ccc2c(c1)CN(Cc1cc3c(c(C(F)(F)F)c1)CN(C(C)C)C3=O)CC2.

What is the InChIKey of 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one?

The InChIKey is DXBWJDODCFGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2.C23H25F3N2O.C21H20ClF3N2O.C20H20F3N3O.C19H25F3N2O2.C18H23F3N2O2/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;1-12(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)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;1-11(2)24-10-16-15(18(24)25)5-14(6-17(16)19(20,21)22)9-23-7-12(3)26-13(4)8-23;1-11(2)23-10-15-14(17(23)24)6-13(7-16(15)18(19,20)21)9-22-4-5-25-12(3)8-22/h4-5,8-10,14H,6-7,11-13H2,1-3H3;3-7,10-11,15,18H,8-9,12-14H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-7,12H,8-11H2,1-2H3;5-6,11-13H,7-10H2,1-4H3;6-7,11-12H,4-5,8-10H2,1-3H3.

What are the key properties of 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 2331.97 g/mol, XLogP of 25.88, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[(2,6-dimethylmorpholin-4-yl)methyl]-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;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 167562932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).