4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one

C124H93Cl5N14O21S10 — CID 159032528

About 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one

4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one (PubChem CID 159032528) has the molecular formula C124H93Cl5N14O21S10 and a molecular weight of 2613.12 g/mol. Its IUPAC name is 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one.

Molecular Properties

• Compound Name: 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one
• PubChem CID: 159032528
• Molecular Formula: C124H93Cl5N14O21S10
• Molecular Weight: 2613.12 g/mol
• Exact Mass: 2608.23
• IUPAC Name: 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one
• SMILES: CN1Cc2c(n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c3ccccc23)C1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cc(-c3ccccc3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cc(-c3ccncc3)c2c1.O=C(Cc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C28H21ClN2O4S2.C27H20ClN3O4S2.C24H20ClN3O4S2.C23H18ClN3O4S2.C22H14ClN3O5S2/c1-18-7-9-22-23(13-18)24(20-5-3-2-4-6-20)16-31(28(22)33)26-11-8-19(15-30-26)14-21(32)17-37(34,35)27-12-10-25(29)36-27;1-17-2-4-21-22(12-17)23(19-8-10-29-11-9-19)15-31(27(21)33)25-6-3-18(14-30-25)13-20(32)16-37(34,35)26-7-5-24(28)36-26;1-27-12-19-17-4-2-3-5-18(17)24(30)28(20(19)13-27)22-8-6-15(11-26-22)10-16(29)14-34(31,32)23-9-7-21(25)33-23;24-20-6-8-22(32-20)33(30,31)13-15(28)9-14-5-7-21(26-10-14)27-19-12-25-11-18(19)16-3-1-2-4-17(16)23(27)29;23-19-2-4-21(32-19)33(29,30)11-15(27)7-13-1-3-20(24-10-13)26-6-5-14-8-17-18(31-12-25-17)9-16(14)22(26)28/h2-13,15-16H,14,17H2,1H3;2-12,14-15H,13,16H2,1H3;2-9,11H,10,12-14H2,1H3;1-8,10,25H,9,11-13H2;1-6,8-10,12H,7,11H2
• InChIKey: JVBCPERRUABOMU-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 484.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2613.12
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one?

The IUPAC name of 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one (CID 159032528) is 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one.

What is the SMILES notation for 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one?

The canonical SMILES for 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one is CN1Cc2c(n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c3ccccc23)C1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cc(-c3ccccc3)c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cc(-c3ccncc3)c2c1.O=C(Cc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one?

The InChIKey is JVBCPERRUABOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O4S2.C27H20ClN3O4S2.C24H20ClN3O4S2.C23H18ClN3O4S2.C22H14ClN3O5S2/c1-18-7-9-22-23(13-18)24(20-5-3-2-4-6-20)16-31(28(22)33)26-11-8-19(15-30-26)14-21(32)17-37(34,35)27-12-10-25(29)36-27;1-17-2-4-21-22(12-17)23(19-8-10-29-11-9-19)15-31(27(21)33)25-6-3-18(14-30-25)13-20(32)16-37(34,35)26-7-5-24(28)36-26;1-27-12-19-17-4-2-3-5-18(17)24(30)28(20(19)13-27)22-8-6-15(11-26-22)10-16(29)14-34(31,32)23-9-7-21(25)33-23;24-20-6-8-22(32-20)33(30,31)13-15(28)9-14-5-7-21(26-10-14)27-19-12-25-11-18(19)16-3-1-2-4-17(16)23(27)29;23-19-2-4-21(32-19)33(29,30)11-15(27)7-13-1-3-20(24-10-13)26-6-5-14-8-17-18(31-12-25-17)9-16(14)22(26)28/h2-13,15-16H,14,17H2,1H3;2-12,14-15H,13,16H2,1H3;2-9,11H,10,12-14H2,1H3;1-8,10,25H,9,11-13H2;1-6,8-10,12H,7,11H2.

What are the key properties of 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one?

4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one has a molecular weight of 2613.12 g/mol, XLogP of 21.47, 32 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-phenylisoquinolin-1-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-4-pyridin-4-ylisoquinolin-1-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 159032528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).