6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C152H159N23O8S — CID 159250430

IUPAC6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)c2nccs2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCC(=O)N(Cc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CC(O)C(C)(C)C)C2)C(=O)C4)ccn1.Cc1ccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)cc1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnn2C)c1
InChIInChI=1S/C29H28N4O2.C28H36N4O2.C26H25N3O.C24H28N4O.C23H22N4O.C22H20N4OS/c1-19-11-21(9-10-30-19)29-26-13-24-17-33(28(35)14-22(24)12-23(26)15-31-29)25-7-8-27(34)32(18-25)16-20-5-3-2-4-6-20;1-18-10-19(7-8-29-18)27-24-12-22-15-32(26(34)13-20(22)11-21(24)14-30-27)23-6-5-9-31(16-23)17-25(33)28(2,3)4;1-16-4-6-19(7-5-16)14-29-15-23-11-24-22(10-20(23)12-25(29)30)13-27-26(24)21-8-17(2)28-18(3)9-21;1-4-27-6-5-21(14-27)28-13-20-10-22-19(9-17(20)11-23(28)29)12-25-24(22)18-7-15(2)26-16(3)8-18;1-15-4-3-5-16(8-15)13-27-14-19-10-20-18(9-17(19)11-22(27)28)12-24-23(20)21-6-7-25-26(21)2;1-13-7-15(3-4-23-13)21-19-9-18-12-26(14(2)22-24-5-6-28-22)20(27)10-16(18)8-17(19)11-25-21/h2-6,9-13,25H,7-8,14-18H2,1H3;7-8,10-12,23,25,33H,5-6,9,13-17H2,1-4H3;4-11H,12-15H2,1-3H3;7-10,21H,4-6,11-14H2,1-3H3;3-10H,11-14H2,1-2H3;3-9,14H,10-12H2,1-2H3/t;23-,25?;;21-;;/m.1.1../s1
InChIKeyKVFNUPZLWHXIBF-VIWIYUGESA-N
MW2468.16 g/mol
LogP21.79
Rot. Bonds20

About 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 159250430) has the molecular formula C152H159N23O8S and a molecular weight of 2468.16 g/mol. Its IUPAC name is 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID159250430
Molecular FormulaC152H159N23O8S
Molecular Weight2468.16 g/mol
Exact Mass2466.25
IUPAC Name6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)c2nccs2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCC(=O)N(Cc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CC(O)C(C)(C)C)C2)C(=O)C4)ccn1.Cc1ccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)cc1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnn2C)c1
InChIInChI=1S/C29H28N4O2.C28H36N4O2.C26H25N3O.C24H28N4O.C23H22N4O.C22H20N4OS/c1-19-11-21(9-10-30-19)29-26-13-24-17-33(28(35)14-22(24)12-23(26)15-31-29)25-7-8-27(34)32(18-25)16-20-5-3-2-4-6-20;1-18-10-19(7-8-29-18)27-24-12-22-15-32(26(34)13-20(22)11-21(24)14-30-27)23-6-5-9-31(16-23)17-25(33)28(2,3)4;1-16-4-6-19(7-5-16)14-29-15-23-11-24-22(10-20(23)12-25(29)30)13-27-26(24)21-8-17(2)28-18(3)9-21;1-4-27-6-5-21(14-27)28-13-20-10-22-19(9-17(20)11-23(28)29)12-25-24(22)18-7-15(2)26-16(3)8-18;1-15-4-3-5-16(8-15)13-27-14-19-10-20-18(9-17(19)11-22(27)28)12-24-23(20)21-6-7-25-26(21)2;1-13-7-15(3-4-23-13)21-19-9-18-12-26(14(2)22-24-5-6-28-22)20(27)10-16(18)8-17(19)11-25-21/h2-6,9-13,25H,7-8,14-18H2,1H3;7-8,10-12,23,25,33H,5-6,9,13-17H2,1-4H3;4-11H,12-15H2,1-3H3;7-10,21H,4-6,11-14H2,1-3H3;3-10H,11-14H2,1-2H3;3-9,14H,10-12H2,1-2H3/t;23-,25?;;21-;;/m.1.1../s1
InChIKeyKVFNUPZLWHXIBF-VIWIYUGESA-N
XLogP21.79
TPSA338.20 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002468.16
LogP ≤ 521.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 159250430) is 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)c2nccs2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CCC(=O)N(Cc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CC(O)C(C)(C)C)C2)C(=O)C4)ccn1.Cc1ccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)cc1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnn2C)c1.
What is the InChIKey of 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is KVFNUPZLWHXIBF-VIWIYUGESA-N. The full InChI is InChI=1S/C29H28N4O2.C28H36N4O2.C26H25N3O.C24H28N4O.C23H22N4O.C22H20N4OS/c1-19-11-21(9-10-30-19)29-26-13-24-17-33(28(35)14-22(24)12-23(26)15-31-29)25-7-8-27(34)32(18-25)16-20-5-3-2-4-6-20;1-18-10-19(7-8-29-18)27-24-12-22-15-32(26(34)13-20(22)11-21(24)14-30-27)23-6-5-9-31(16-23)17-25(33)28(2,3)4;1-16-4-6-19(7-5-16)14-29-15-23-11-24-22(10-20(23)12-25(29)30)13-27-26(24)21-8-17(2)28-18(3)9-21;1-4-27-6-5-21(14-27)28-13-20-10-22-19(9-17(20)11-23(28)29)12-25-24(22)18-7-15(2)26-16(3)8-18;1-15-4-3-5-16(8-15)13-27-14-19-10-20-18(9-17(19)11-22(27)28)12-24-23(20)21-6-7-25-26(21)2;1-13-7-15(3-4-23-13)21-19-9-18-12-26(14(2)22-24-5-6-28-22)20(27)10-16(18)8-17(19)11-25-21/h2-6,9-13,25H,7-8,14-18H2,1H3;7-8,10-12,23,25,33H,5-6,9,13-17H2,1-4H3;4-11H,12-15H2,1-3H3;7-10,21H,4-6,11-14H2,1-3H3;3-10H,11-14H2,1-2H3;3-9,14H,10-12H2,1-2H3/t;23-,25?;;21-;;/m.1.1../s1.
What are the key properties of 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2468.16 g/mol, XLogP of 21.79, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzyl-6-oxopiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(4-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(2-hydroxy-3,3-dimethylbutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[1-(1,3-thiazol-2-yl)ethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 159250430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).