6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

C160H158N22O7S — CID 159014669

IUPAC6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCCCN1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CC[C@@H](C)N1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)CC(C)C)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2nccs2)C(=O)C4)ccn1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccc(C)nc2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cccnc2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1
InChIInChI=1S/2C25H23N3O.C24H21N3O.C23H27N3O.C21H18N4OS.2C21H23N3O/c1-16-4-3-5-18(8-16)14-28-15-22-11-23-21(10-20(22)12-24(28)29)13-27-25(23)19-6-7-26-17(2)9-19;1-16-4-3-5-18(8-16)14-28-15-22-10-23-21(9-20(22)11-24(28)29)13-27-25(23)19-7-6-17(2)26-12-19;1-16-4-2-5-17(8-16)14-27-15-21-10-22-20(9-19(21)11-23(27)28)13-26-24(22)18-6-3-7-25-12-18;1-14(2)7-16(4)26-13-20-10-21-19(9-18(20)11-22(26)27)12-25-23(21)17-5-6-24-15(3)8-17;1-13-6-14(2-3-22-13)21-18-8-17-11-25(12-19-23-4-5-27-19)20(26)9-15(17)7-16(18)10-24-21;1-4-14(3)24-12-18-9-19-17(8-16(18)10-20(24)25)11-23-21(19)15-5-6-22-13(2)7-15;1-3-4-7-24-13-18-10-19-17(9-16(18)11-20(24)25)12-23-21(19)15-5-6-22-14(2)8-15/h3-11H,12-15H2,1-2H3;3-10,12H,11,13-15H2,1-2H3;2-10,12H,11,13-15H2,1H3;5-6,8-10,14,16H,7,11-13H2,1-4H3;2-8H,9-12H2,1H3;5-9,14H,4,10-12H2,1-3H3;5-6,8-10H,3-4,7,11-13H2,1-2H3/t;;;;;14-;/m.....1./s1
InChIKeyJSXZAGQPYDOPQT-KRQKTAPCSA-N
MW2533.24 g/mol
LogP26.29
Rot. Bonds23

About 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one

6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (PubChem CID 159014669) has the molecular formula C160H158N22O7S and a molecular weight of 2533.24 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
PubChem CID159014669
Molecular FormulaC160H158N22O7S
Molecular Weight2533.24 g/mol
Exact Mass2531.24
IUPAC Name6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
SMILESCCCCN1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CC[C@@H](C)N1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)CC(C)C)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2nccs2)C(=O)C4)ccn1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccc(C)nc2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cccnc2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1
InChIInChI=1S/2C25H23N3O.C24H21N3O.C23H27N3O.C21H18N4OS.2C21H23N3O/c1-16-4-3-5-18(8-16)14-28-15-22-11-23-21(10-20(22)12-24(28)29)13-27-25(23)19-6-7-26-17(2)9-19;1-16-4-3-5-18(8-16)14-28-15-22-10-23-21(9-20(22)11-24(28)29)13-27-25(23)19-7-6-17(2)26-12-19;1-16-4-2-5-17(8-16)14-27-15-21-10-22-20(9-19(21)11-23(27)28)13-26-24(22)18-6-3-7-25-12-18;1-14(2)7-16(4)26-13-20-10-21-19(9-18(20)11-22(26)27)12-25-23(21)17-5-6-24-15(3)8-17;1-13-6-14(2-3-22-13)21-18-8-17-11-25(12-19-23-4-5-27-19)20(26)9-15(17)7-16(18)10-24-21;1-4-14(3)24-12-18-9-19-17(8-16(18)10-20(24)25)11-23-21(19)15-5-6-22-13(2)7-15;1-3-4-7-24-13-18-10-19-17(9-16(18)11-20(24)25)12-23-21(19)15-5-6-22-14(2)8-15/h3-11H,12-15H2,1-2H3;3-10,12H,11,13-15H2,1-2H3;2-10,12H,11,13-15H2,1H3;5-6,8-10,14,16H,7,11-13H2,1-4H3;2-8H,9-12H2,1H3;5-9,14H,4,10-12H2,1-3H3;5-6,8-10H,3-4,7,11-13H2,1-2H3/t;;;;;14-;/m.....1./s1
InChIKeyJSXZAGQPYDOPQT-KRQKTAPCSA-N
XLogP26.29
TPSA331.81 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.24
LogP ≤ 526.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-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-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The IUPAC name of 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one (CID 159014669) is 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one.
What is the SMILES notation for 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The canonical SMILES for 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is CCCCN1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.CC[C@@H](C)N1Cc2cc3c(cc2CC1=O)CN=C3c1ccnc(C)c1.Cc1cc(C2=NCc3cc4c(cc32)CN(C(C)CC(C)C)C(=O)C4)ccn1.Cc1cc(C2=NCc3cc4c(cc32)CN(Cc2nccs2)C(=O)C4)ccn1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccc(C)nc2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2cccnc2)c1.Cc1cccc(CN2Cc3cc4c(cc3CC2=O)CN=C4c2ccnc(C)c2)c1.
What is the InChIKey of 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
The InChIKey is JSXZAGQPYDOPQT-KRQKTAPCSA-N. The full InChI is InChI=1S/2C25H23N3O.C24H21N3O.C23H27N3O.C21H18N4OS.2C21H23N3O/c1-16-4-3-5-18(8-16)14-28-15-22-11-23-21(10-20(22)12-24(28)29)13-27-25(23)19-6-7-26-17(2)9-19;1-16-4-3-5-18(8-16)14-28-15-22-10-23-21(9-20(22)11-24(28)29)13-27-25(23)19-7-6-17(2)26-12-19;1-16-4-2-5-17(8-16)14-27-15-21-10-22-20(9-19(21)11-23(27)28)13-26-24(22)18-6-3-7-25-12-18;1-14(2)7-16(4)26-13-20-10-21-19(9-18(20)11-22(26)27)12-25-23(21)17-5-6-24-15(3)8-17;1-13-6-14(2-3-22-13)21-18-8-17-11-25(12-19-23-4-5-27-19)20(26)9-15(17)7-16(18)10-24-21;1-4-14(3)24-12-18-9-19-17(8-16(18)10-20(24)25)11-23-21(19)15-5-6-22-13(2)7-15;1-3-4-7-24-13-18-10-19-17(9-16(18)11-20(24)25)12-23-21(19)15-5-6-22-14(2)8-15/h3-11H,12-15H2,1-2H3;3-10,12H,11,13-15H2,1-2H3;2-10,12H,11,13-15H2,1H3;5-6,8-10,14,16H,7,11-13H2,1-4H3;2-8H,9-12H2,1H3;5-9,14H,4,10-12H2,1-3H3;5-6,8-10H,3-4,7,11-13H2,1-2H3/t;;;;;14-;/m.....1./s1.
What are the key properties of 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one?
6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one has a molecular weight of 2533.24 g/mol, XLogP of 26.29, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-butan-2-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-butyl-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(4-methylpentan-2-yl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-(6-methyl-3-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3-methylphenyl)methyl]-3-pyridin-3-yl-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;3-(2-methyl-4-pyridinyl)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one is sourced from PubChem (CID 159014669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).