6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
C176H189ClN24O6 — CID 158897996
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)CN(C2CCN(CCc3ccccc3)CC2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)c3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CCC3CC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3Cl)C2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)cc1.Cc1cccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1
InChIInChI=1S/4C30H32N4O.C29H29ClN4O.C27H32N4O/c1-20-5-3-6-22(11-20)17-33-10-4-7-27(19-33)34-18-26-14-28-25(13-24(26)15-29(34)35)16-32-30(28)23-8-9-31-21(2)12-23;1-20-5-7-22(8-6-20)17-33-11-3-4-27(19-33)34-18-26-14-28-25(13-24(26)15-29(34)35)16-32-30(28)23-9-10-31-21(2)12-23;1-20-13-23(10-11-31-20)30-28-15-26-18-34(29(35)16-24(26)14-25(28)17-32-30)27-9-6-12-33(19-27)21(2)22-7-4-3-5-8-22;1-21-15-23(7-11-31-21)30-28-17-26-20-34(29(35)18-24(26)16-25(28)19-32-30)27-9-13-33(14-10-27)12-8-22-5-3-2-4-6-22;1-19-11-20(8-9-31-19)29-26-13-24-17-34(28(35)14-22(24)12-23(26)15-32-29)25-6-4-10-33(18-25)16-21-5-2-3-7-27(21)30;1-18-11-20(6-8-28-18)27-25-13-23-16-31(26(32)14-21(23)12-22(25)15-29-27)24-3-2-9-30(17-24)10-7-19-4-5-19/h3,5-6,8-9,11-14,27H,4,7,10,15-19H2,1-2H3;5-10,12-14,27H,3-4,11,15-19H2,1-2H3;3-5,7-8,10-11,13-15,21,27H,6,9,12,16-19H2,1-2H3;2-7,11,15-17,27H,8-10,12-14,18-20H2,1H3;2-3,5,7-9,11-13,25H,4,6,10,14-18H2,1H3;6,8,11-13,19,24H,2-5,7,9-10,14-17H2,1H3/t2*27-;21?,27-;;25-;24-/m111.11/s1
InChIKeyJFBSFFMTCKEXLN-PJTIGEGJSA-N
MW2772.06 g/mol
LogP27.22
Rot. Bonds26
About 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 158897996) has the molecular formula C176H189ClN24O6 and a molecular weight of 2772.06 g/mol. Its IUPAC name is 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
Molecular Properties
| Compound Name | 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one |
|---|---|
| PubChem CID | 158897996 |
| Molecular Formula | C176H189ClN24O6 |
| Molecular Weight | 2772.06 g/mol |
| Exact Mass | 2769.49 |
| IUPAC Name | 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one |
| SMILES | Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCN(CCc3ccccc3)CC2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)c3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CCC3CC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3Cl)C2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)cc1.Cc1cccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1 |
| InChI | InChI=1S/4C30H32N4O.C29H29ClN4O.C27H32N4O/c1-20-5-3-6-22(11-20)17-33-10-4-7-27(19-33)34-18-26-14-28-25(13-24(26)15-29(34)35)16-32-30(28)23-8-9-31-21(2)12-23;1-20-5-7-22(8-6-20)17-33-11-3-4-27(19-33)34-18-26-14-28-25(13-24(26)15-29(34)35)16-32-30(28)23-9-10-31-21(2)12-23;1-20-13-23(10-11-31-20)30-28-15-26-18-34(29(35)16-24(26)14-25(28)17-32-30)27-9-6-12-33(19-27)21(2)22-7-4-3-5-8-22;1-21-15-23(7-11-31-21)30-28-17-26-20-34(29(35)18-24(26)16-25(28)19-32-30)27-9-13-33(14-10-27)12-8-22-5-3-2-4-6-22;1-19-11-20(8-9-31-19)29-26-13-24-17-34(28(35)14-22(24)12-23(26)15-32-29)25-6-4-10-33(18-25)16-21-5-2-3-7-27(21)30;1-18-11-20(6-8-28-18)27-25-13-23-16-31(26(32)14-21(23)12-22(25)15-29-27)24-3-2-9-30(17-24)10-7-19-4-5-19/h3,5-6,8-9,11-14,27H,4,7,10,15-19H2,1-2H3;5-10,12-14,27H,3-4,11,15-19H2,1-2H3;3-5,7-8,10-11,13-15,21,27H,6,9,12,16-19H2,1-2H3;2-7,11,15-17,27H,8-10,12-14,18-20H2,1H3;2-3,5,7-9,11-13,25H,4,6,10,14-18H2,1H3;6,8,11-13,19,24H,2-5,7,9-10,14-17H2,1H3/t2*27-;21?,27-;;25-;24-/m111.11/s1 |
| InChIKey | JFBSFFMTCKEXLN-PJTIGEGJSA-N |
| XLogP | 27.22 |
| TPSA | 292.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 207 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2772.06 |
| LogP ≤ 5 | 27.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 158897996) is 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCN(CCc3ccccc3)CC2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)c3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CCC3CC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3Cl)C2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)cc1.Cc1cccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1.
What is the InChIKey of 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is JFBSFFMTCKEXLN-PJTIGEGJSA-N. The full InChI is InChI=1S/4C30H32N4O.C29H29ClN4O.C27H32N4O/c1-20-5-3-6-22(11-20)17-33-10-4-7-27(19-33)34-18-26-14-28-25(13-24(26)15-29(34)35)16-32-30(28)23-8-9-31-21(2)12-23;1-20-5-7-22(8-6-20)17-33-11-3-4-27(19-33)34-18-26-14-28-25(13-24(26)15-29(34)35)16-32-30(28)23-9-10-31-21(2)12-23;1-20-13-23(10-11-31-20)30-28-15-26-18-34(29(35)16-24(26)14-25(28)17-32-30)27-9-6-12-33(19-27)21(2)22-7-4-3-5-8-22;1-21-15-23(7-11-31-21)30-28-17-26-20-34(29(35)18-24(26)16-25(28)19-32-30)27-9-13-33(14-10-27)12-8-22-5-3-2-4-6-22;1-19-11-20(8-9-31-19)29-26-13-24-17-34(28(35)14-22(24)12-23(26)15-32-29)25-6-4-10-33(18-25)16-21-5-2-3-7-27(21)30;1-18-11-20(6-8-28-18)27-25-13-23-16-31(26(32)14-21(23)12-22(25)15-29-27)24-3-2-9-30(17-24)10-7-19-4-5-19/h3,5-6,8-9,11-14,27H,4,7,10,15-19H2,1-2H3;5-10,12-14,27H,3-4,11,15-19H2,1-2H3;3-5,7-8,10-11,13-15,21,27H,6,9,12,16-19H2,1-2H3;2-7,11,15-17,27H,8-10,12-14,18-20H2,1H3;2-3,5,7-9,11-13,25H,4,6,10,14-18H2,1H3;6,8,11-13,19,24H,2-5,7,9-10,14-17H2,1H3/t2*27-;21?,27-;;25-;24-/m111.11/s1.
What are the key properties of 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2772.06 g/mol, XLogP of 27.22, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-cyclopropylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)piperidin-4-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1-phenylethyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 158897996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158897996 — identifiers, structure, computed properties (public domain)
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