6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C153H144F3N27O9 — CID 159527935

IUPAC6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCOc1ncc(C2=NCc3cc4c(cc32)CN(Cc2cccc(C)c2)C(=O)C4)cn1.COc1ncc(C2=NCc3cc4c(cc32)CN([C@H](CO)c2cccc(C)c2)C(=O)C4)cn1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cncnc2)c1.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2c(F)cccc2F)C1)C(c1ccnnc1)=NC3.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2ccccc2)C1)C(c1ccnnc1)=NC3.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2ccccc2F)C1)C(c1ccnnc1)=NC3
InChIInChI=1S/C27H25F2N5O.C27H26FN5O.C27H27N5O.C25H24N4O3.C24H22N4O2.C23H20N4O/c28-24-4-1-5-25(29)23(24)16-33-8-2-3-21(15-33)34-14-20-10-22-19(9-18(20)11-26(34)35)12-30-27(22)17-6-7-31-32-13-17;28-25-6-2-1-4-19(25)15-32-9-3-5-23(17-32)33-16-22-11-24-21(10-20(22)12-26(33)34)13-29-27(24)18-7-8-30-31-14-18;33-26-13-21-11-22-14-28-27(20-8-9-29-30-15-20)25(22)12-23(21)17-32(26)24-7-4-10-31(18-24)16-19-5-2-1-3-6-19;1-15-4-3-5-16(6-15)22(14-30)29-13-19-8-21-18(7-17(19)9-23(29)31)10-26-24(21)20-11-27-25(32-2)28-12-20;1-15-4-3-5-16(6-15)13-28-14-19-8-21-18(7-17(19)9-22(28)29)10-25-23(21)20-11-26-24(30-2)27-12-20;1-15-3-2-4-16(5-15)12-27-13-19-7-21-18(6-17(19)8-22(27)28)11-26-23(21)20-9-24-14-25-10-20/h1,4-7,9-10,13,21H,2-3,8,11-12,14-16H2;1-2,4,6-8,10-11,14,23H,3,5,9,12-13,15-17H2;1-3,5-6,8-9,11-12,15,24H,4,7,10,13-14,16-18H2;3-8,11-12,22,30H,9-10,13-14H2,1-2H3;3-8,11-12H,9-10,13-14H2,1-2H3;2-7,9-10,14H,8,11-13H2,1H3/t21-;23-;24-;22-;;/m1111../s1
InChIKeyMCPROKVJGFACMI-VMKXWRPVSA-N
MW2562.01 g/mol
LogP19.76
Rot. Bonds24

About 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 159527935) has the molecular formula C153H144F3N27O9 and a molecular weight of 2562.01 g/mol. Its IUPAC name is 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID159527935
Molecular FormulaC153H144F3N27O9
Molecular Weight2562.01 g/mol
Exact Mass2560.16
IUPAC Name6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCOc1ncc(C2=NCc3cc4c(cc32)CN(Cc2cccc(C)c2)C(=O)C4)cn1.COc1ncc(C2=NCc3cc4c(cc32)CN([C@H](CO)c2cccc(C)c2)C(=O)C4)cn1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cncnc2)c1.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2c(F)cccc2F)C1)C(c1ccnnc1)=NC3.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2ccccc2)C1)C(c1ccnnc1)=NC3.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2ccccc2F)C1)C(c1ccnnc1)=NC3
InChIInChI=1S/C27H25F2N5O.C27H26FN5O.C27H27N5O.C25H24N4O3.C24H22N4O2.C23H20N4O/c28-24-4-1-5-25(29)23(24)16-33-8-2-3-21(15-33)34-14-20-10-22-19(9-18(20)11-26(34)35)12-30-27(22)17-6-7-31-32-13-17;28-25-6-2-1-4-19(25)15-32-9-3-5-23(17-32)33-16-22-11-24-21(10-20(22)12-26(33)34)13-29-27(24)18-7-8-30-31-14-18;33-26-13-21-11-22-14-28-27(20-8-9-29-30-15-20)25(22)12-23(21)17-32(26)24-7-4-10-31(18-24)16-19-5-2-1-3-6-19;1-15-4-3-5-16(6-15)22(14-30)29-13-19-8-21-18(7-17(19)9-23(29)31)10-26-24(21)20-11-27-25(32-2)28-12-20;1-15-4-3-5-16(6-15)13-28-14-19-8-21-18(7-17(19)9-22(28)29)10-25-23(21)20-11-26-24(30-2)27-12-20;1-15-3-2-4-16(5-15)12-27-13-19-7-21-18(6-17(19)8-22(27)28)11-26-23(21)20-9-24-14-25-10-20/h1,4-7,9-10,13,21H,2-3,8,11-12,14-16H2;1-2,4,6-8,10-11,14,23H,3,5,9,12-13,15-17H2;1-3,5-6,8-9,11-12,15,24H,4,7,10,13-14,16-18H2;3-8,11-12,22,30H,9-10,13-14H2,1-2H3;3-8,11-12H,9-10,13-14H2,1-2H3;2-7,9-10,14H,8,11-13H2,1H3/t21-;23-;24-;22-;;/m1111../s1
InChIKeyMCPROKVJGFACMI-VMKXWRPVSA-N
XLogP19.76
TPSA399.11 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002562.01
LogP ≤ 519.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 158037865
6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 147438150
6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 146932189
6-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 147429733
6-[(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 158647044
3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-1,5,7,9-tetrahydropyrrolo[3,4-h][2]benzazepin-8-one
CID 159010090
6-[(3R)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 161435545
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 160990175
6-[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 148578497
6-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101116
6-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 146943710
1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 74239581

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 159527935) is 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is COc1ncc(C2=NCc3cc4c(cc32)CN(Cc2cccc(C)c2)C(=O)C4)cn1.COc1ncc(C2=NCc3cc4c(cc32)CN([C@H](CO)c2cccc(C)c2)C(=O)C4)cn1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cncnc2)c1.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2c(F)cccc2F)C1)C(c1ccnnc1)=NC3.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2ccccc2)C1)C(c1ccnnc1)=NC3.O=C1Cc2cc3c(cc2CN1[C@@H]1CCCN(Cc2ccccc2F)C1)C(c1ccnnc1)=NC3.
What is the InChIKey of 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is MCPROKVJGFACMI-VMKXWRPVSA-N. The full InChI is InChI=1S/C27H25F2N5O.C27H26FN5O.C27H27N5O.C25H24N4O3.C24H22N4O2.C23H20N4O/c28-24-4-1-5-25(29)23(24)16-33-8-2-3-21(15-33)34-14-20-10-22-19(9-18(20)11-26(34)35)12-30-27(22)17-6-7-31-32-13-17;28-25-6-2-1-4-19(25)15-32-9-3-5-23(17-32)33-16-22-11-24-21(10-20(22)12-26(33)34)13-29-27(24)18-7-8-30-31-14-18;33-26-13-21-11-22-14-28-27(20-8-9-29-30-15-20)25(22)12-23(21)17-32(26)24-7-4-10-31(18-24)16-19-5-2-1-3-6-19;1-15-4-3-5-16(6-15)22(14-30)29-13-19-8-21-18(7-17(19)9-23(29)31)10-26-24(21)20-11-27-25(32-2)28-12-20;1-15-4-3-5-16(6-15)13-28-14-19-8-21-18(7-17(19)9-22(28)29)10-25-23(21)20-11-26-24(30-2)27-12-20;1-15-3-2-4-16(5-15)12-27-13-19-7-21-18(6-17(19)8-22(27)28)11-26-23(21)20-9-24-14-25-10-20/h1,4-7,9-10,13,21H,2-3,8,11-12,14-16H2;1-2,4,6-8,10-11,14,23H,3,5,9,12-13,15-17H2;1-3,5-6,8-9,11-12,15,24H,4,7,10,13-14,16-18H2;3-8,11-12,22,30H,9-10,13-14H2,1-2H3;3-8,11-12H,9-10,13-14H2,1-2H3;2-7,9-10,14H,8,11-13H2,1H3/t21-;23-;24-;22-;;/m1111../s1.
What are the key properties of 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2562.01 g/mol, XLogP of 19.76, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-benzylpiperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methoxypyrimidin-5-yl)-6-[(3-methylphenyl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyrimidin-5-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 159527935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).