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

C170H185N23O6 — CID 157473627

IUPAC6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CC3(C)CC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3cnccc3C)C2)C(=O)C4)ccn1.Cc1ccc(C(C)N2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)cc1.Cc1cccc(C(C)C2=Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.Cc1cccc(C(C)N2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1
InChIInChI=1S/2C31H34N4O.C29H31N5O.C27H32N4O.C27H24N2O.C25H30N4O/c1-20-6-4-7-23(12-20)22(3)34-11-5-8-28(19-34)35-18-27-15-29-26(14-25(27)16-30(35)36)17-33-31(29)24-9-10-32-21(2)13-24;1-20-6-8-23(9-7-20)22(3)34-12-4-5-28(19-34)35-18-27-15-29-26(14-25(27)16-30(35)36)17-33-31(29)24-10-11-32-21(2)13-24;1-19-5-7-30-14-25(19)16-33-9-3-4-26(18-33)34-17-24-12-27-23(11-22(24)13-28(34)35)15-32-29(27)21-6-8-31-20(2)10-21;1-18-10-19(5-8-28-18)26-24-12-22-15-31(25(32)13-20(22)11-21(24)14-29-26)23-4-3-9-30(16-23)17-27(2)6-7-27;1-16-5-4-6-19(9-16)18(3)24-12-22-13-25-23(11-21(22)14-26(24)30)15-29-27(25)20-7-8-28-17(2)10-20;1-3-8-28-9-4-5-22(16-28)29-15-21-12-23-20(11-19(21)13-24(29)30)14-27-25(23)18-6-7-26-17(2)10-18/h4,6-7,9-10,12-15,22,28H,5,8,11,16-19H2,1-3H3;6-11,13-15,22,28H,4-5,12,16-19H2,1-3H3;5-8,10-12,14,26H,3-4,9,13,15-18H2,1-2H3;5,8,10-12,23H,3-4,6-7,9,13-17H2,1-2H3;4-13,18H,14-15H2,1-3H3;6-7,10-12,22H,3-5,8-9,13-16H2,1-2H3/t2*22?,28-;26-;23-;;22-/m1111.1/s1
InChIKeyBVICTTBUDKOEJH-FFNHQPLFSA-N
MW2646.50 g/mol
LogP27.07
Rot. Bonds23

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

6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 157473627) has the molecular formula C170H185N23O6 and a molecular weight of 2646.50 g/mol. Its IUPAC name is 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID157473627
Molecular FormulaC170H185N23O6
Molecular Weight2646.50 g/mol
Exact Mass2644.49
IUPAC Name6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CC3(C)CC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3cnccc3C)C2)C(=O)C4)ccn1.Cc1ccc(C(C)N2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)cc1.Cc1cccc(C(C)C2=Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.Cc1cccc(C(C)N2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1
InChIInChI=1S/2C31H34N4O.C29H31N5O.C27H32N4O.C27H24N2O.C25H30N4O/c1-20-6-4-7-23(12-20)22(3)34-11-5-8-28(19-34)35-18-27-15-29-26(14-25(27)16-30(35)36)17-33-31(29)24-9-10-32-21(2)13-24;1-20-6-8-23(9-7-20)22(3)34-12-4-5-28(19-34)35-18-27-15-29-26(14-25(27)16-30(35)36)17-33-31(29)24-10-11-32-21(2)13-24;1-19-5-7-30-14-25(19)16-33-9-3-4-26(18-33)34-17-24-12-27-23(11-22(24)13-28(34)35)15-32-29(27)21-6-8-31-20(2)10-21;1-18-10-19(5-8-28-18)26-24-12-22-15-31(25(32)13-20(22)11-21(24)14-29-26)23-4-3-9-30(16-23)17-27(2)6-7-27;1-16-5-4-6-19(9-16)18(3)24-12-22-13-25-23(11-21(22)14-26(24)30)15-29-27(25)20-7-8-28-17(2)10-20;1-3-8-28-9-4-5-22(16-28)29-15-21-12-23-20(11-19(21)13-24(29)30)14-27-25(23)18-6-7-26-17(2)10-18/h4,6-7,9-10,12-15,22,28H,5,8,11,16-19H2,1-3H3;6-11,13-15,22,28H,4-5,12,16-19H2,1-3H3;5-8,10-12,14,26H,3-4,9,13,15-18H2,1-2H3;5,8,10-12,23H,3-4,6-7,9,13-17H2,1-2H3;4-13,18H,14-15H2,1-3H3;6-7,10-12,22H,3-5,8-9,13-16H2,1-2H3/t2*22?,28-;26-;23-;;22-/m1111.1/s1
InChIKeyBVICTTBUDKOEJH-FFNHQPLFSA-N
XLogP27.07
TPSA299.21 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.50
LogP ≤ 527.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one with MolForge

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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
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
6-(1-benzyl-5,5-difluoropiperidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(cyclopentylmethyl)-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(cyclopropylmethyl)azetidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(4-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 159062905
6-[(3R)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(1-cyclohexylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(cyclohexylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;bis(3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one)
CID 159811188
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
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
N-butyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-cyclopropyl-N-propyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;2-fluoro-N-propyl-5-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;(4-methylpiperidin-1-yl)-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone;N-pentyl-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]pentan-1-one
CID 165099929
(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide
CID 167558664
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
CID 167560340
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(2-fluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-3-ylhexanamide
CID 167647390
(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide
CID 167667748
6,13-Bis[2-[bis(pyridin-2-ylmethyl)amino]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;ethanol
CID 139117714

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 157473627) is 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(CC3(C)CC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3cnccc3C)C2)C(=O)C4)ccn1.Cc1ccc(C(C)N2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)cc1.Cc1cccc(C(C)C2=Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.Cc1cccc(C(C)N2CCC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1.
What is the InChIKey of 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is BVICTTBUDKOEJH-FFNHQPLFSA-N. The full InChI is InChI=1S/2C31H34N4O.C29H31N5O.C27H32N4O.C27H24N2O.C25H30N4O/c1-20-6-4-7-23(12-20)22(3)34-11-5-8-28(19-34)35-18-27-15-29-26(14-25(27)16-30(35)36)17-33-31(29)24-9-10-32-21(2)13-24;1-20-6-8-23(9-7-20)22(3)34-12-4-5-28(19-34)35-18-27-15-29-26(14-25(27)16-30(35)36)17-33-31(29)24-10-11-32-21(2)13-24;1-19-5-7-30-14-25(19)16-33-9-3-4-26(18-33)34-17-24-12-27-23(11-22(24)13-28(34)35)15-32-29(27)21-6-8-31-20(2)10-21;1-18-10-19(5-8-28-18)26-24-12-22-15-31(25(32)13-20(22)11-21(24)14-29-26)23-4-3-9-30(16-23)17-27(2)6-7-27;1-16-5-4-6-19(9-16)18(3)24-12-22-13-25-23(11-21(22)14-26(24)30)15-29-27(25)20-7-8-28-17(2)10-20;1-3-8-28-9-4-5-22(16-28)29-15-21-12-23-20(11-19(21)13-24(29)30)14-27-25(23)18-6-7-26-17(2)10-18/h4,6-7,9-10,12-15,22,28H,5,8,11,16-19H2,1-3H3;6-11,13-15,22,28H,4-5,12,16-19H2,1-3H3;5-8,10-12,14,26H,3-4,9,13,15-18H2,1-2H3;5,8,10-12,23H,3-4,6-7,9,13-17H2,1-2H3;4-13,18H,14-15H2,1-3H3;6-7,10-12,22H,3-5,8-9,13-16H2,1-2H3/t2*22?,28-;26-;23-;;22-/m1111.1/s1.
What are the key properties of 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2646.50 g/mol, XLogP of 27.07, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[(1-methylcyclopropyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[1-(3-methylphenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,8-dihydrobenzo[f]isoindol-7-one;6-[(3R)-1-[1-(3-methylphenyl)ethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[1-(4-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-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 157473627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).