6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C166H169F2N23O10 — CID 158057095

IUPAC6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESC=C(c1ccccc1)N1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccc(C)nc2)C1.COc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)cc3F)C2)C(=O)C4)ccn1.COc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)ccn1.COc1ccc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)cc3F)C2)C(=O)C4)cn1.COc1ccc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)cn1
InChIInChI=1S/2C30H31FN4O2.2C29H30N4O2.C25H21N3O.C23H26N4O/c1-19-5-6-21(27(31)10-19)16-34-9-3-4-25(18-34)35-17-24-12-26-23(11-22(24)13-29(35)36)15-33-30(26)20-7-8-28(37-2)32-14-20;1-19-5-6-21(27(31)10-19)16-34-9-3-4-25(18-34)35-17-24-12-26-23(11-22(24)14-29(35)36)15-33-30(26)20-7-8-32-28(13-20)37-2;1-35-27-10-9-21(15-30-27)29-26-13-24-18-33(28(34)14-22(24)12-23(26)16-31-29)25-8-5-11-32(19-25)17-20-6-3-2-4-7-20;1-35-27-14-21(9-10-30-27)29-26-13-24-18-33(28(34)15-22(24)12-23(26)16-31-29)25-8-5-11-32(19-25)17-20-6-3-2-4-7-20;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;1-3-26-7-6-20(14-26)27-13-19-9-21-18(8-17(19)10-22(27)28)12-25-23(21)16-5-4-15(2)24-11-16/h5-8,10-12,14,25H,3-4,9,13,15-18H2,1-2H3;5-8,10-13,25H,3-4,9,14-18H2,1-2H3;2-4,6-7,9-10,12-13,15,25H,5,8,11,14,16-19H2,1H3;2-4,6-7,9-10,12-14,25H,5,8,11,15-19H2,1H3;3-12H,2,13-15H2,1H3;4-5,8-9,11,20H,3,6-7,10,12-14H2,1-2H3/t4*25-;;20-/m1111.1/s1
InChIKeyFKEOKFARUPOABM-JAUWESLDSA-N
MW2684.32 g/mol
LogP23.87
Rot. Bonds26

About 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 158057095) has the molecular formula C166H169F2N23O10 and a molecular weight of 2684.32 g/mol. Its IUPAC name is 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID158057095
Molecular FormulaC166H169F2N23O10
Molecular Weight2684.32 g/mol
Exact Mass2682.34
IUPAC Name6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESC=C(c1ccccc1)N1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccc(C)nc2)C1.COc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)cc3F)C2)C(=O)C4)ccn1.COc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)ccn1.COc1ccc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)cc3F)C2)C(=O)C4)cn1.COc1ccc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)cn1
InChIInChI=1S/2C30H31FN4O2.2C29H30N4O2.C25H21N3O.C23H26N4O/c1-19-5-6-21(27(31)10-19)16-34-9-3-4-25(18-34)35-17-24-12-26-23(11-22(24)13-29(35)36)15-33-30(26)20-7-8-28(37-2)32-14-20;1-19-5-6-21(27(31)10-19)16-34-9-3-4-25(18-34)35-17-24-12-26-23(11-22(24)14-29(35)36)15-33-30(26)20-7-8-32-28(13-20)37-2;1-35-27-10-9-21(15-30-27)29-26-13-24-18-33(28(34)14-22(24)12-23(26)16-31-29)25-8-5-11-32(19-25)17-20-6-3-2-4-7-20;1-35-27-14-21(9-10-30-27)29-26-13-24-18-33(28(34)15-22(24)12-23(26)16-31-29)25-8-5-11-32(19-25)17-20-6-3-2-4-7-20;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;1-3-26-7-6-20(14-26)27-13-19-9-21-18(8-17(19)10-22(27)28)12-25-23(21)16-5-4-15(2)24-11-16/h5-8,10-12,14,25H,3-4,9,13,15-18H2,1-2H3;5-8,10-13,25H,3-4,9,14-18H2,1-2H3;2-4,6-7,9-10,12-13,15,25H,5,8,11,14,16-19H2,1H3;2-4,6-7,9-10,12-14,25H,5,8,11,15-19H2,1H3;3-12H,2,13-15H2,1H3;4-5,8-9,11,20H,3,6-7,10,12-14H2,1-2H3/t4*25-;;20-/m1111.1/s1
InChIKeyFKEOKFARUPOABM-JAUWESLDSA-N
XLogP23.87
TPSA326.48 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002684.32
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 158057095) is 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is C=C(c1ccccc1)N1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CCN1CC[C@@H](N2Cc3cc4c(cc3CC2=O)CN=C4c2ccc(C)nc2)C1.COc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)cc3F)C2)C(=O)C4)ccn1.COc1cc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccccc3)C2)C(=O)C4)ccn1.COc1ccc(C2=NCc3cc4c(cc32)CN([C@@H]2CCCN(Cc3ccc(C)cc3F)C2)C(=O)C4)cn1.COc1ccc(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-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is FKEOKFARUPOABM-JAUWESLDSA-N. The full InChI is InChI=1S/2C30H31FN4O2.2C29H30N4O2.C25H21N3O.C23H26N4O/c1-19-5-6-21(27(31)10-19)16-34-9-3-4-25(18-34)35-17-24-12-26-23(11-22(24)13-29(35)36)15-33-30(26)20-7-8-28(37-2)32-14-20;1-19-5-6-21(27(31)10-19)16-34-9-3-4-25(18-34)35-17-24-12-26-23(11-22(24)14-29(35)36)15-33-30(26)20-7-8-32-28(13-20)37-2;1-35-27-10-9-21(15-30-27)29-26-13-24-18-33(28(34)14-22(24)12-23(26)16-31-29)25-8-5-11-32(19-25)17-20-6-3-2-4-7-20;1-35-27-14-21(9-10-30-27)29-26-13-24-18-33(28(34)15-22(24)12-23(26)16-31-29)25-8-5-11-32(19-25)17-20-6-3-2-4-7-20;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;1-3-26-7-6-20(14-26)27-13-19-9-21-18(8-17(19)10-22(27)28)12-25-23(21)16-5-4-15(2)24-11-16/h5-8,10-12,14,25H,3-4,9,13,15-18H2,1-2H3;5-8,10-13,25H,3-4,9,14-18H2,1-2H3;2-4,6-7,9-10,12-13,15,25H,5,8,11,14,16-19H2,1H3;2-4,6-7,9-10,12-14,25H,5,8,11,15-19H2,1H3;3-12H,2,13-15H2,1H3;4-5,8-9,11,20H,3,6-7,10,12-14H2,1-2H3/t4*25-;;20-/m1111.1/s1.
What are the key properties of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2684.32 g/mol, XLogP of 23.87, 26 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-(2-methoxy-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-benzylpiperidin-3-yl]-3-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(6-methyl-3-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-methoxy-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-(6-methoxy-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1-phenylethenyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 158057095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).