3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C157H168N24O6S2 — CID 159188581

IUPAC3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2nc(C)cs2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)C)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)s3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CN(C)C[C@H]2c2ccccc2)C(=O)C4)cc(C)n1.Cc1cccc(N2CC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1
InChIInChI=1S/C29H30N4O.C28H30N4OS.C28H28N4O.2C25H30N4O.C22H20N4OS/c1-18-9-22(10-19(2)31-18)29-25-12-24-15-33(28(34)13-21(24)11-23(25)14-30-29)27-17-32(3)16-26(27)20-7-5-4-6-8-20;1-18-10-20(7-8-29-18)28-26-12-23-15-32(27(33)13-21(23)11-22(26)14-30-28)24-4-3-9-31(16-24)17-25-6-5-19(2)34-25;1-18-4-3-5-24(10-18)31-9-7-25(17-31)32-16-23-13-26-22(12-21(23)14-27(32)33)15-30-28(26)20-6-8-29-19(2)11-20;1-16(2)28-8-4-5-22(15-28)29-14-21-11-23-20(10-19(21)12-24(29)30)13-27-25(23)18-6-7-26-17(3)9-18;1-4-28-7-5-6-22(15-28)29-14-21-11-23-20(10-18(21)12-24(29)30)13-26-25(23)19-8-16(2)27-17(3)9-19;1-13-5-15(3-4-23-13)22-19-7-18-10-26(11-20-25-14(2)12-28-20)21(27)8-16(18)6-17(19)9-24-22/h4-12,26-27H,13-17H2,1-3H3;5-8,10-12,24H,3-4,9,13-17H2,1-2H3;3-6,8,10-13,25H,7,9,14-17H2,1-2H3;6-7,9-11,16,22H,4-5,8,12-15H2,1-3H3;8-11,22H,4-7,12-15H2,1-3H3;3-7,12H,8-11H2,1-2H3/t26-,27+;24-;25-;2*22-;/m01111./s1
InChIKeyKNUITWSLBOCPIR-QNTVUVDUSA-N
MW2551.37 g/mol
LogP23.41
Rot. Bonds19

About 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 159188581) has the molecular formula C157H168N24O6S2 and a molecular weight of 2551.37 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID159188581
Molecular FormulaC157H168N24O6S2
Molecular Weight2551.37 g/mol
Exact Mass2549.30
IUPAC Name3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2nc(C)cs2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)C)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)s3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CN(C)C[C@H]2c2ccccc2)C(=O)C4)cc(C)n1.Cc1cccc(N2CC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1
InChIInChI=1S/C29H30N4O.C28H30N4OS.C28H28N4O.2C25H30N4O.C22H20N4OS/c1-18-9-22(10-19(2)31-18)29-25-12-24-15-33(28(34)13-21(24)11-23(25)14-30-29)27-17-32(3)16-26(27)20-7-5-4-6-8-20;1-18-10-20(7-8-29-18)28-26-12-23-15-32(27(33)13-21(23)11-22(26)14-30-28)24-4-3-9-31(16-24)17-25-6-5-19(2)34-25;1-18-4-3-5-24(10-18)31-9-7-25(17-31)32-16-23-13-26-22(12-21(23)14-27(32)33)15-30-28(26)20-6-8-29-19(2)11-20;1-16(2)28-8-4-5-22(15-28)29-14-21-11-23-20(10-19(21)12-24(29)30)13-27-25(23)18-6-7-26-17(3)9-18;1-4-28-7-5-6-22(15-28)29-14-21-11-23-20(10-18(21)12-24(29)30)13-26-25(23)19-8-16(2)27-17(3)9-19;1-13-5-15(3-4-23-13)22-19-7-18-10-26(11-20-25-14(2)12-28-20)21(27)8-16(18)6-17(19)9-24-22/h4-12,26-27H,13-17H2,1-3H3;5-8,10-12,24H,3-4,9,13-17H2,1-2H3;3-6,8,10-13,25H,7,9,14-17H2,1-2H3;6-7,9-11,16,22H,4-5,8,12-15H2,1-3H3;8-11,22H,4-7,12-15H2,1-3H3;3-7,12H,8-11H2,1-2H3/t26-,27+;24-;25-;2*22-;/m01111./s1
InChIKeyKNUITWSLBOCPIR-QNTVUVDUSA-N
XLogP23.41
TPSA302.45 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.37
LogP ≤ 523.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-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 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 159188581) is 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCN1CCC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2cc(C)nc(C)c2)C1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2nc(C)cs2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(C(C)C)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)s3)C2)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CN(C)C[C@H]2c2ccccc2)C(=O)C4)cc(C)n1.Cc1cccc(N2CC[C@@H](N3Cc4cc5c(cc4CC3=O)CN=C5c3ccnc(C)c3)C2)c1.
What is the InChIKey of 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is KNUITWSLBOCPIR-QNTVUVDUSA-N. The full InChI is InChI=1S/C29H30N4O.C28H30N4OS.C28H28N4O.2C25H30N4O.C22H20N4OS/c1-18-9-22(10-19(2)31-18)29-25-12-24-15-33(28(34)13-21(24)11-23(25)14-30-29)27-17-32(3)16-26(27)20-7-5-4-6-8-20;1-18-10-20(7-8-29-18)28-26-12-23-15-32(27(33)13-21(23)11-22(26)14-30-28)24-4-3-9-31(16-24)17-25-6-5-19(2)34-25;1-18-4-3-5-24(10-18)31-9-7-25(17-31)32-16-23-13-26-22(12-21(23)14-27(32)33)15-30-28(26)20-6-8-29-19(2)11-20;1-16(2)28-8-4-5-22(15-28)29-14-21-11-23-20(10-19(21)12-24(29)30)13-27-25(23)18-6-7-26-17(3)9-18;1-4-28-7-5-6-22(15-28)29-14-21-11-23-20(10-18(21)12-24(29)30)13-26-25(23)19-8-16(2)27-17(3)9-19;1-13-5-15(3-4-23-13)22-19-7-18-10-26(11-20-25-14(2)12-28-20)21(27)8-16(18)6-17(19)9-24-22/h4-12,26-27H,13-17H2,1-3H3;5-8,10-12,24H,3-4,9,13-17H2,1-2H3;3-6,8,10-13,25H,7,9,14-17H2,1-2H3;6-7,9-11,16,22H,4-5,8,12-15H2,1-3H3;8-11,22H,4-7,12-15H2,1-3H3;3-7,12H,8-11H2,1-2H3/t26-,27+;24-;25-;2*22-;/m01111./s1.
What are the key properties of 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2551.37 g/mol, XLogP of 23.41, 19 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-pyridinyl)-6-[(3R)-1-ethylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2,6-dimethyl-4-pyridinyl)-6-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 159188581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).