6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one

C120H94Cl5N17O21S11 — CID 157486760

About 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one

6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one (PubChem CID 157486760) has the molecular formula C120H94Cl5N17O21S11 and a molecular weight of 2640.17 g/mol. Its IUPAC name is 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one.

Molecular Properties

• Compound Name: 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one
• PubChem CID: 157486760
• Molecular Formula: C120H94Cl5N17O21S11
• Molecular Weight: 2640.17 g/mol
• Exact Mass: 2635.22
• IUPAC Name: 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one
• SMILES: CN1Cc2cc3ccn(-c4ccc(CC(=O)CS(=O)(=O)c5ccc(Cl)s5)cn4)c(=O)c3cc2C1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cc(C(=O)NCCN3CCCC3)c2c1.O=C(Cc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4c(cc3c2=O)CC=N4)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncsc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C29H29ClN4O5S2.C24H20ClN3O4S2.C23H16ClN3O4S2.C22H15ClN4O4S2.C22H14ClN3O4S3/c1-19-4-6-22-23(14-19)24(28(36)31-10-13-33-11-2-3-12-33)17-34(29(22)37)26-8-5-20(16-32-26)15-21(35)18-41(38,39)27-9-7-25(30)40-27;1-27-12-17-9-16-6-7-28(24(30)20(16)10-18(17)13-27)22-4-2-15(11-26-22)8-19(29)14-34(31,32)23-5-3-21(25)33-23;24-20-2-4-22(32-20)33(30,31)13-17(28)9-14-1-3-21(26-12-14)27-8-6-15-11-19-16(5-7-25-19)10-18(15)23(27)29;23-19-2-4-21(32-19)33(30,31)11-15(28)7-13-1-3-20(24-10-13)27-6-5-14-8-17-18(26-12-25-17)9-16(14)22(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/h4-9,14,16-17H,2-3,10-13,15,18H2,1H3,(H,31,36);2-7,9-11H,8,12-14H2,1H3;1-4,6-8,10-12H,5,9,13H2;1-6,8-10,12H,7,11H2,(H,25,26);1-6,8-10,12H,7,11H2
• InChIKey: BWUQHZSIFXNSSP-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 520.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.17
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

The IUPAC name of 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one (CID 157486760) is 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one.

What is the SMILES notation for 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

The canonical SMILES for 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one is CN1Cc2cc3ccn(-c4ccc(CC(=O)CS(=O)(=O)c5ccc(Cl)s5)cn4)c(=O)c3cc2C1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)cc(C(=O)NCCN3CCCC3)c2c1.O=C(Cc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4c(cc3c2=O)CC=N4)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncsc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

The InChIKey is BWUQHZSIFXNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O5S2.C24H20ClN3O4S2.C23H16ClN3O4S2.C22H15ClN4O4S2.C22H14ClN3O4S3/c1-19-4-6-22-23(14-19)24(28(36)31-10-13-33-11-2-3-12-33)17-34(29(22)37)26-8-5-20(16-32-26)15-21(35)18-41(38,39)27-9-7-25(30)40-27;1-27-12-17-9-16-6-7-28(24(30)20(16)10-18(17)13-27)22-4-2-15(11-26-22)8-19(29)14-34(31,32)23-5-3-21(25)33-23;24-20-2-4-22(32-20)33(30,31)13-17(28)9-14-1-3-21(26-12-14)27-8-6-15-11-19-16(5-7-25-19)10-18(15)23(27)29;23-19-2-4-21(32-19)33(30,31)11-15(28)7-13-1-3-20(24-10-13)27-6-5-14-8-17-18(26-12-25-17)9-16(14)22(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/h4-9,14,16-17H,2-3,10-13,15,18H2,1H3,(H,31,36);2-7,9-11H,8,12-14H2,1H3;1-4,6-8,10-12H,5,9,13H2;1-6,8-10,12H,7,11H2,(H,25,26);1-6,8-10,12H,7,11H2.

What are the key properties of 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one has a molecular weight of 2640.17 g/mol, XLogP of 19.25, 34 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 157486760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).