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

C153H162F2N26O6S — CID 159109381

IUPAC6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cnc(C)nc2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)c2nc(C)c(C)s2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(CCC2CC2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccc(C)nc3)C2)c(F)c1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3cnn(C)c3)C2)c(F)c1.Cn1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)cn1
InChIInChI=1S/C30H31FN4O.C28H30FN5O.C27H29N5O.C24H24N4OS.C22H25N5O.C22H23N3O/c1-19-5-7-22(28(31)10-19)16-34-9-3-4-26(18-34)35-17-25-12-27-24(11-23(25)13-29(35)36)15-33-30(27)21-8-6-20(2)32-14-21;1-18-5-6-19(26(29)8-18)15-33-7-3-4-24(17-33)34-16-22-10-25-21(9-20(22)11-27(34)35)12-30-28(25)23-13-31-32(2)14-23;1-30-16-23(14-29-30)27-25-11-22-17-32(26(33)12-20(22)10-21(25)13-28-27)24-8-5-9-31(18-24)15-19-6-3-2-4-7-19;1-13-7-17(5-6-25-13)23-21-9-20-12-28(15(3)24-27-14(2)16(4)30-24)22(29)10-18(20)8-19(21)11-26-23;1-3-26-5-4-19(13-26)27-12-17-7-20-16(6-15(17)8-21(27)28)9-25-22(20)18-10-23-14(2)24-11-18;1-14-8-16(4-6-23-14)22-20-10-19-13-25(7-5-15-2-3-15)21(26)11-17(19)9-18(20)12-24-22/h5-8,10-12,14,26H,3-4,9,13,15-18H2,1-2H3;5-6,8-10,13-14,24H,3-4,7,11-12,15-17H2,1-2H3;2-4,6-7,10-11,14,16,24H,5,8-9,12-13,15,17-18H2,1H3;5-9,15H,10-12H2,1-4H3;6-7,10-11,19H,3-5,8-9,12-13H2,1-2H3;4,6,8-10,15H,2-3,5,7,11-13H2,1H3/t26-;2*24-;;19-;/m111.1./s1
InChIKeyKEHGZYYNCKPHNJ-BFBZDMDASA-N
MW2531.22 g/mol
LogP21.83
Rot. Bonds22

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

6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 159109381) has the molecular formula C153H162F2N26O6S and a molecular weight of 2531.22 g/mol. Its IUPAC name is 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID159109381
Molecular FormulaC153H162F2N26O6S
Molecular Weight2531.22 g/mol
Exact Mass2529.29
IUPAC Name6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cnc(C)nc2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)c2nc(C)c(C)s2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(CCC2CC2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccc(C)nc3)C2)c(F)c1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3cnn(C)c3)C2)c(F)c1.Cn1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)cn1
InChIInChI=1S/C30H31FN4O.C28H30FN5O.C27H29N5O.C24H24N4OS.C22H25N5O.C22H23N3O/c1-19-5-7-22(28(31)10-19)16-34-9-3-4-26(18-34)35-17-25-12-27-24(11-23(25)13-29(35)36)15-33-30(27)21-8-6-20(2)32-14-21;1-18-5-6-19(26(29)8-18)15-33-7-3-4-24(17-33)34-16-22-10-25-21(9-20(22)11-27(34)35)12-30-28(25)23-13-31-32(2)14-23;1-30-16-23(14-29-30)27-25-11-22-17-32(26(33)12-20(22)10-21(25)13-28-27)24-8-5-9-31(18-24)15-19-6-3-2-4-7-19;1-13-7-17(5-6-25-13)23-21-9-20-12-28(15(3)24-27-14(2)16(4)30-24)22(29)10-18(20)8-19(21)11-26-23;1-3-26-5-4-19(13-26)27-12-17-7-20-16(6-15(17)8-21(27)28)9-25-22(20)18-10-23-14(2)24-11-18;1-14-8-16(4-6-23-14)22-20-10-19-13-25(7-5-15-2-3-15)21(26)11-17(19)9-18(20)12-24-22/h5-8,10-12,14,26H,3-4,9,13,15-18H2,1-2H3;5-6,8-10,13-14,24H,3-4,7,11-12,15-17H2,1-2H3;2-4,6-7,10-11,14,16,24H,5,8-9,12-13,15,17-18H2,1H3;5-9,15H,10-12H2,1-4H3;6-7,10-11,19H,3-5,8-9,12-13H2,1-2H3;4,6,8-10,15H,2-3,5,7,11-13H2,1H3/t26-;2*24-;;19-;/m111.1./s1
InChIKeyKEHGZYYNCKPHNJ-BFBZDMDASA-N
XLogP21.83
TPSA321.96 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.22
LogP ≤ 521.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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

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Related Compounds

6-(1-benzyl-5,5-difluoropiperidin-3-yl)-3-(2-methoxypyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S,4R)-4-cyclopropyl-1-ethylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S,4R)-1-ethyl-4-propan-2-ylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S,4R)-1-ethyl-4-thiophen-2-ylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-phenylethyl)-1,8-dihydrobenzo[f]isoindol-7-one;3-(2-methylpyrazol-3-yl)-6-(1-phenylethyl)-1,8-dihydrobenzo[f]isoindol-7-one
CID 158490454
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 158964881
2-[2-(3,5-diphenylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 159218094
1-[3-(3,3-difluorocyclobutyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4,4-difluorocyclohexyl)-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 159870702
2-Anilino-8-ethyl-6-[4-methyl-2-(5-methylcyclopenta-1,3-dien-1-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(1-ethylpiperidin-4-yl)-6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;4-methylmorpholine;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(2-methyltetrazol-5-yl)phenyl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 160333339
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 160370537
4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide;1-[4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]phenyl]-3-[3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]butan-1-one;1-[4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]phenyl]-3-(2-methyl-1,3-thiazol-4-yl)butan-1-one;1-[4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]phenyl]-3-[4-(trifluoromethyl)-2-pyridinyl]butan-1-one;N-[(1S)-1-[4-cyclopropyl-3-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-6-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;4-cyclopropyl-3-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-6-yl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 167640339
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238
CID 157189651
CID 157189651
2-[4-Methyl-3-[[4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone
CID 157360571
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone;2-[3-amino-6-(2-methylphenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 157462247
1-[3-(Difluoromethyl)-6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[6-fluoro-3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 157536442

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 159109381) is 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cnc(C)nc2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)c2nc(C)c(C)s2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(CCC2CC2)C(=O)C4)ccn1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccc(C)nc3)C2)c(F)c1.Cc1ccc(CN2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3cnn(C)c3)C2)c(F)c1.Cn1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)cn1.
What is the InChIKey of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is KEHGZYYNCKPHNJ-BFBZDMDASA-N. The full InChI is InChI=1S/C30H31FN4O.C28H30FN5O.C27H29N5O.C24H24N4OS.C22H25N5O.C22H23N3O/c1-19-5-7-22(28(31)10-19)16-34-9-3-4-26(18-34)35-17-25-12-27-24(11-23(25)13-29(35)36)15-33-30(27)21-8-6-20(2)32-14-21;1-18-5-6-19(26(29)8-18)15-33-7-3-4-24(17-33)34-16-22-10-25-21(9-20(22)11-27(34)35)12-30-28(25)23-13-31-32(2)14-23;1-30-16-23(14-29-30)27-25-11-22-17-32(26(33)12-20(22)10-21(25)13-28-27)24-8-5-9-31(18-24)15-19-6-3-2-4-7-19;1-13-7-17(5-6-25-13)23-21-9-20-12-28(15(3)24-27-14(2)16(4)30-24)22(29)10-18(20)8-19(21)11-26-23;1-3-26-5-4-19(13-26)27-12-17-7-20-16(6-15(17)8-21(27)28)9-25-22(20)18-10-23-14(2)24-11-18;1-14-8-16(4-6-23-14)22-20-10-19-13-25(7-5-15-2-3-15)21(26)11-17(19)9-18(20)12-24-22/h5-8,10-12,14,26H,3-4,9,13,15-18H2,1-2H3;5-6,8-10,13-14,24H,3-4,7,11-12,15-17H2,1-2H3;2-4,6-7,10-11,14,16,24H,5,8-9,12-13,15,17-18H2,1H3;5-9,15H,10-12H2,1-4H3;6-7,10-11,19H,3-5,8-9,12-13H2,1-2H3;4,6,8-10,15H,2-3,5,7,11-13H2,1H3/t26-;2*24-;;19-;/m111.1./s1.
What are the key properties of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2531.22 g/mol, XLogP of 21.83, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(2-cyclopropylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrimidin-5-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 159109381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).