6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C165H178FN25O6S — CID 158957507

IUPAC6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CN(CCc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CN(Cc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C3CCCCC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)c(F)c3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3sc(C)nc3C)C2)C(=O)C4)ccn1
InChIInChI=1S/C30H31FN4O.C28H31N5OS.C28H34N4O.C28H28N4O.C27H26N4O.C24H28N4O/c1-19-5-6-21(11-28(19)31)16-34-9-3-4-26(18-34)35-17-25-13-27-24(12-23(25)14-29(35)36)15-33-30(27)22-7-8-32-20(2)10-22;1-17-9-20(6-7-29-17)28-25-11-23-14-33(27(34)12-21(23)10-22(25)13-30-28)24-5-4-8-32(15-24)16-26-18(2)31-19(3)35-26;1-19-12-20(9-10-29-19)28-26-14-23-17-32(27(33)15-21(23)13-22(26)16-30-28)25-8-5-11-31(18-25)24-6-3-2-4-7-24;1-19-11-21(7-9-29-19)28-26-13-24-16-32(27(33)14-22(24)12-23(26)15-30-28)25-17-31(18-25)10-8-20-5-3-2-4-6-20;1-18-9-20(7-8-28-18)27-25-11-23-15-31(26(32)12-21(23)10-22(25)13-29-27)24-16-30(17-24)14-19-5-3-2-4-6-19;1-3-27-8-4-5-21(15-27)28-14-20-11-22-19(10-18(20)12-23(28)29)13-26-24(22)17-6-7-25-16(2)9-17/h5-8,10-13,26H,3-4,9,14-18H2,1-2H3;6-7,9-11,24H,4-5,8,12-16H2,1-3H3;9-10,12-14,24-25H,2-8,11,15-18H2,1H3;2-7,9,11-13,25H,8,10,14-18H2,1H3;2-11,24H,12-17H2,1H3;6-7,9-11,21H,3-5,8,12-15H2,1-2H3/t26-;24-;25-;;;21-/m111..1/s1
InChIKeyJMEQGGCLANTFOK-GSZCGCBKSA-N
MW2658.47 g/mol
LogP23.70
Rot. Bonds23

About 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 158957507) has the molecular formula C165H178FN25O6S and a molecular weight of 2658.47 g/mol. Its IUPAC name is 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID158957507
Molecular FormulaC165H178FN25O6S
Molecular Weight2658.47 g/mol
Exact Mass2656.41
IUPAC Name6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CN(CCc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CN(Cc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C3CCCCC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)c(F)c3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3sc(C)nc3C)C2)C(=O)C4)ccn1
InChIInChI=1S/C30H31FN4O.C28H31N5OS.C28H34N4O.C28H28N4O.C27H26N4O.C24H28N4O/c1-19-5-6-21(11-28(19)31)16-34-9-3-4-26(18-34)35-17-25-13-27-24(12-23(25)14-29(35)36)15-33-30(27)22-7-8-32-20(2)10-22;1-17-9-20(6-7-29-17)28-25-11-23-14-33(27(34)12-21(23)10-22(25)13-30-28)24-5-4-8-32(15-24)16-26-18(2)31-19(3)35-26;1-19-12-20(9-10-29-19)28-26-14-23-17-32(27(33)15-21(23)13-22(26)16-30-28)25-8-5-11-31(18-25)24-6-3-2-4-7-24;1-19-11-21(7-9-29-19)28-26-13-24-16-32(27(33)14-22(24)12-23(26)15-30-28)25-17-31(18-25)10-8-20-5-3-2-4-6-20;1-18-9-20(7-8-28-18)27-25-11-23-15-31(26(32)12-21(23)10-22(25)13-29-27)24-16-30(17-24)14-19-5-3-2-4-6-19;1-3-27-8-4-5-21(15-27)28-14-20-11-22-19(10-18(20)12-23(28)29)13-26-24(22)17-6-7-25-16(2)9-17/h5-8,10-13,26H,3-4,9,14-18H2,1-2H3;6-7,9-11,24H,4-5,8,12-16H2,1-3H3;9-10,12-14,24-25H,2-8,11,15-18H2,1H3;2-7,9,11-13,25H,8,10,14-18H2,1H3;2-11,24H,12-17H2,1H3;6-7,9-11,21H,3-5,8,12-15H2,1-2H3/t26-;24-;25-;;;21-/m111..1/s1
InChIKeyJMEQGGCLANTFOK-GSZCGCBKSA-N
XLogP23.70
TPSA305.69 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002658.47
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-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-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 158957507) is 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CN(CCc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(C2CN(Cc3ccccc3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C3CCCCC3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)c(F)c3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3sc(C)nc3C)C2)C(=O)C4)ccn1.
What is the InChIKey of 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is JMEQGGCLANTFOK-GSZCGCBKSA-N. The full InChI is InChI=1S/C30H31FN4O.C28H31N5OS.C28H34N4O.C28H28N4O.C27H26N4O.C24H28N4O/c1-19-5-6-21(11-28(19)31)16-34-9-3-4-26(18-34)35-17-25-13-27-24(12-23(25)14-29(35)36)15-33-30(27)22-7-8-32-20(2)10-22;1-17-9-20(6-7-29-17)28-25-11-23-14-33(27(34)12-21(23)10-22(25)13-30-28)24-5-4-8-32(15-24)16-26-18(2)31-19(3)35-26;1-19-12-20(9-10-29-19)28-26-14-23-17-32(27(33)15-21(23)13-22(26)16-30-28)25-8-5-11-31(18-25)24-6-3-2-4-7-24;1-19-11-21(7-9-29-19)28-26-13-24-16-32(27(33)14-22(24)12-23(26)15-30-28)25-17-31(18-25)10-8-20-5-3-2-4-6-20;1-18-9-20(7-8-28-18)27-25-11-23-15-31(26(32)12-21(23)10-22(25)13-29-27)24-16-30(17-24)14-19-5-3-2-4-6-19;1-3-27-8-4-5-21(15-27)28-14-20-11-22-19(10-18(20)12-23(28)29)13-26-24(22)17-6-7-25-16(2)9-17/h5-8,10-13,26H,3-4,9,14-18H2,1-2H3;6-7,9-11,24H,4-5,8,12-16H2,1-3H3;9-10,12-14,24-25H,2-8,11,15-18H2,1H3;2-7,9,11-13,25H,8,10,14-18H2,1H3;2-11,24H,12-17H2,1H3;6-7,9-11,21H,3-5,8,12-15H2,1-2H3/t26-;24-;25-;;;21-/m111..1/s1.
What are the key properties of 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2658.47 g/mol, XLogP of 23.70, 23 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylazetidin-3-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-cyclohexylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-[(3-fluoro-4-methylphenyl)methyl]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-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 158957507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).