6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C148H131N17O6 — CID 157285168

IUPAC6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@H](C)c2ccccc2)C(=O)C4)ccn1.Cc1ccc([C@@H](C)N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)cc1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccncc2)c1.O=C1Cc2cc3c(cc2CN1Cc1ccccc1)C(c1ccncc1)=NC3
InChIInChI=1S/C26H25N3O.2C25H23N3O.C25H20N2O.C24H21N3O.C23H19N3O/c1-16-4-6-19(7-5-16)18(3)29-15-23-12-24-22(11-21(23)13-25(29)30)14-28-26(24)20-8-9-27-17(2)10-20;1-16-4-3-5-18(8-16)14-28-15-22-11-23-21(10-20(22)12-24(28)29)13-27-25(23)19-6-7-26-17(2)9-19;1-16-10-19(8-9-26-16)25-23-12-22-15-28(17(2)18-6-4-3-5-7-18)24(29)13-20(22)11-21(23)14-27-25;1-16-9-18(7-8-26-16)25-23-13-19-11-21(10-17-5-3-2-4-6-17)24(28)14-20(19)12-22(23)15-27-25;1-16-3-2-4-17(9-16)14-27-15-21-11-22-20(10-19(21)12-23(27)28)13-26-24(22)18-5-7-25-8-6-18;27-22-12-18-10-19-13-25-23(17-6-8-24-9-7-17)21(19)11-20(18)15-26(22)14-16-4-2-1-3-5-16/h4-12,18H,13-15H2,1-3H3;3-11H,12-15H2,1-2H3;3-12,17H,13-15H2,1-2H3;2-9,11-13H,10,14-15H2,1H3;2-11H,12-15H2,1H3;1-11H,12-15H2/t18-;;17-;;;/m1.1.../s1
InChIKeyBADIYMQSXKGMLZ-YGLAKLONSA-N
MW2243.79 g/mol
LogP25.05
Rot. Bonds18

About 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 157285168) has the molecular formula C148H131N17O6 and a molecular weight of 2243.79 g/mol. Its IUPAC name is 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID157285168
Molecular FormulaC148H131N17O6
Molecular Weight2243.79 g/mol
Exact Mass2242.05
IUPAC Name6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCc1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@H](C)c2ccccc2)C(=O)C4)ccn1.Cc1ccc([C@@H](C)N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)cc1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccncc2)c1.O=C1Cc2cc3c(cc2CN1Cc1ccccc1)C(c1ccncc1)=NC3
InChIInChI=1S/C26H25N3O.2C25H23N3O.C25H20N2O.C24H21N3O.C23H19N3O/c1-16-4-6-19(7-5-16)18(3)29-15-23-12-24-22(11-21(23)13-25(29)30)14-28-26(24)20-8-9-27-17(2)10-20;1-16-4-3-5-18(8-16)14-28-15-22-11-23-21(10-20(22)12-24(28)29)13-27-25(23)19-6-7-26-17(2)9-19;1-16-10-19(8-9-26-16)25-23-12-22-15-28(17(2)18-6-4-3-5-7-18)24(29)13-20(22)11-21(23)14-27-25;1-16-9-18(7-8-26-16)25-23-13-19-11-21(10-17-5-3-2-4-6-17)24(28)14-20(19)12-22(23)15-27-25;1-16-3-2-4-17(9-16)14-27-15-21-11-22-20(10-19(21)12-23(27)28)13-26-24(22)18-5-7-25-8-6-18;27-22-12-18-10-19-13-25-23(17-6-8-24-9-7-17)21(19)11-20(18)15-26(22)14-16-4-2-1-3-5-16/h4-12,18H,13-15H2,1-3H3;3-11H,12-15H2,1-2H3;3-12,17H,13-15H2,1-2H3;2-9,11-13H,10,14-15H2,1H3;2-11H,12-15H2,1H3;1-11H,12-15H2/t18-;;17-;;;/m1.1.../s1
InChIKeyBADIYMQSXKGMLZ-YGLAKLONSA-N
XLogP25.05
TPSA270.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002243.79
LogP ≤ 525.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-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

6,13-Bis[3-[3-[bis(pyridin-2-ylmethyl)amino]propyl-methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 71458562
Perampanel Hydrate
CID 70679123
7,18-Bis(2-pyridin-2-ylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 10326241
2,9-Bis(2-(pyridin-4-yl)ethyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
CID 20661202
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 148162675
2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-(2-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
CID 157131566
Bis(1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3,4-dideuterioisoquinoline);bis(1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3,4-dideuterio-6-methylisoquinoline);bis(1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3,4-dideuterio-6-(2-methylpropyl)isoquinoline);bis(1-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3,4-dideuterio-6-propan-2-ylisoquinoline);tetrakis(3,7-diethyl-9,9-difluoro-6-hydroxydec-5-en-4-one);tetrakis(iridium);methane
CID 159858232
6-cyclohexyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-cyclopentyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[5,5-difluoro-1-[(3-fluoro-5-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3,3-dimethyl-2-oxobutyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 160299534
[4-[6-(2,4-Difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-phenylmethanone;[4-[6-(4-hexylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-(4-methylphenyl)methanone;[4-[6-(4-hexylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-phenylmethanone;[4-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-(2,4,6-trimethylphenyl)methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;[4-(6-phenyl-3-pyridinyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone;platinum
CID 160368421
2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N-dimethylbenzamide;2-fluoro-5-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N-propylbenzamide;5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-isoindole;4-[3-(1H-isoindol-5-yl)-2-pyridinyl]-N,N,2-trimethylaniline
CID 160472542
6-(1-cyclohexylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[dideuterio-(2,3,5,6-tetradeuterio-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-5-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[2-(3-methylphenyl)ethyl]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-[(3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 160990171
bis(6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one);methane;2,2,2-trifluoroacetaldehyde
CID 160990179

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 157285168) is 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is Cc1cc(C2=NCc3cc4c(cc32)C=C(Cc2ccccc2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@H](C)c2ccccc2)C(=O)C4)ccn1.Cc1ccc([C@@H](C)N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)cc1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccncc2)c1.O=C1Cc2cc3c(cc2CN1Cc1ccccc1)C(c1ccncc1)=NC3.
What is the InChIKey of 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is BADIYMQSXKGMLZ-YGLAKLONSA-N. The full InChI is InChI=1S/C26H25N3O.2C25H23N3O.C25H20N2O.C24H21N3O.C23H19N3O/c1-16-4-6-19(7-5-16)18(3)29-15-23-12-24-22(11-21(23)13-25(29)30)14-28-26(24)20-8-9-27-17(2)10-20;1-16-4-3-5-18(8-16)14-28-15-22-11-23-21(10-20(22)12-24(28)29)13-27-25(23)19-6-7-26-17(2)9-19;1-16-10-19(8-9-26-16)25-23-12-22-15-28(17(2)18-6-4-3-5-7-18)24(29)13-20(22)11-21(23)14-27-25;1-16-9-18(7-8-26-16)25-23-13-19-11-21(10-17-5-3-2-4-6-17)24(28)14-20(19)12-22(23)15-27-25;1-16-3-2-4-17(9-16)14-27-15-21-11-22-20(10-19(21)12-23(27)28)13-26-24(22)18-5-7-25-8-6-18;27-22-12-18-10-19-13-25-23(17-6-8-24-9-7-17)21(19)11-20(18)15-26(22)14-16-4-2-1-3-5-16/h4-12,18H,13-15H2,1-3H3;3-11H,12-15H2,1-2H3;3-12,17H,13-15H2,1-2H3;2-9,11-13H,10,14-15H2,1H3;2-11H,12-15H2,1H3;1-11H,12-15H2/t18-;;17-;;;/m1.1.../s1.
What are the key properties of 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2243.79 g/mol, XLogP of 25.05, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(1R)-1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-4-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(1R)-1-phenylethyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 157285168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).