6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C148H152ClF6N21O7 — CID 157143419

About 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 157143419) has the molecular formula C148H152ClF6N21O7 and a molecular weight of 2486.42 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

• Compound Name: 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
• PubChem CID: 157143419
• Molecular Formula: C148H152ClF6N21O7
• Molecular Weight: 2486.42 g/mol
• Exact Mass: 2484.18
• IUPAC Name: 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
• SMILES: CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCOC(C)(C)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2ccccc2C(F)(F)F)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2ccccc2Cl)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)C(F)(F)F)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C3CCCC3)C2)C(=O)C4)ccn1
• InChI: InChI=1S/C27H32N4O.C25H27F3N4O.C25H20F3N3O.C24H20ClN3O.C24H27N3O2.C23H26N4O/c1-18-11-19(8-9-28-18)27-25-13-22-16-31(26(32)14-20(22)12-21(25)15-29-27)24-7-4-10-30(17-24)23-5-2-3-6-23;1-15-8-17(5-6-29-15)24-22-10-20-13-32(23(33)11-18(20)9-19(22)12-30-24)21-4-3-7-31(14-21)16(2)25(26,27)28;1-15-8-16(6-7-29-15)24-21-10-20-14-31(23(32)11-18(20)9-19(21)12-30-24)13-17-4-2-3-5-22(17)25(26,27)28;1-15-8-16(6-7-26-15)24-21-10-20-14-28(13-17-4-2-3-5-22(17)25)23(29)11-18(20)9-19(21)12-27-24;1-15-8-16(4-6-25-15)23-21-10-19-14-27(20-5-7-29-24(2,3)12-20)22(28)11-17(19)9-18(21)13-26-23;1-3-26-7-5-20(14-26)27-13-19-10-21-18(9-17(19)11-22(27)28)12-25-23(21)16-4-6-24-15(2)8-16/h8-9,11-13,23-24H,2-7,10,14-17H2,1H3;5-6,8-10,16,21H,3-4,7,11-14H2,1-2H3;2-10H,11-14H2,1H3;2-10H,11-14H2,1H3;4,6,8-10,20H,5,7,11-14H2,1-3H3;4,6,8-10,20H,3,5,7,11-14H2,1-2H3/t24-;16?,21-;;;;20-/m11...1/s1
• InChIKey: AKLAPKHDWWMNBV-XQVNWUDKSA-N
• XLogP: 23.70
• TPSA: 292.31 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2486.42
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

The IUPAC name of 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 157143419) is 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

The canonical SMILES for 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCOC(C)(C)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2ccccc2C(F)(F)F)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2ccccc2Cl)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)C(F)(F)F)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C3CCCC3)C2)C(=O)C4)ccn1.

What is the InChIKey of 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

The InChIKey is AKLAPKHDWWMNBV-XQVNWUDKSA-N. The full InChI is InChI=1S/C27H32N4O.C25H27F3N4O.C25H20F3N3O.C24H20ClN3O.C24H27N3O2.C23H26N4O/c1-18-11-19(8-9-28-18)27-25-13-22-16-31(26(32)14-20(22)12-21(25)15-29-27)24-7-4-10-30(17-24)23-5-2-3-6-23;1-15-8-17(5-6-29-15)24-22-10-20-13-32(23(33)11-18(20)9-19(22)12-30-24)21-4-3-7-31(14-21)16(2)25(26,27)28;1-15-8-16(6-7-29-15)24-21-10-20-14-31(23(32)11-18(20)9-19(21)12-30-24)13-17-4-2-3-5-22(17)25(26,27)28;1-15-8-16(6-7-26-15)24-21-10-20-14-28(13-17-4-2-3-5-22(17)25)23(29)11-18(20)9-19(21)12-27-24;1-15-8-16(4-6-25-15)23-21-10-19-14-27(20-5-7-29-24(2,3)12-20)22(28)11-17(19)9-18(21)13-26-23;1-3-26-7-5-20(14-26)27-13-19-10-21-18(9-17(19)11-22(27)28)12-25-23(21)16-4-6-24-15(2)8-16/h8-9,11-13,23-24H,2-7,10,14-17H2,1H3;5-6,8-10,16,21H,3-4,7,11-14H2,1-2H3;2-10H,11-14H2,1H3;2-10H,11-14H2,1H3;4,6,8-10,20H,5,7,11-14H2,1-3H3;4,6,8-10,20H,3,5,7,11-14H2,1-2H3/t24-;16?,21-;;;;20-/m11...1/s1.

What are the key properties of 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?

6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2486.42 g/mol, XLogP of 23.70, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2,2-dimethyloxan-4-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 157143419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).