1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea
C120H85BrF10N26O33S13 — CID 157069051
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea
SMILESCOc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2.NOOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Br)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C23H20FN5O5S2.C20H12F4N4O5S2.C20H15FN4O6S2.C19H12BrFN4O5S2.C19H12F2N4O5S2.C19H14FN5O7S3/c24-18-6-8-21(35-18)36(33,34)27-23(32)26-15-3-7-19(25-13-15)29-20(30)12-14-11-16(28-9-1-2-10-28)4-5-17(14)22(29)31;21-14-4-6-17(34-14)35(32,33)27-19(31)26-12-3-5-15(25-9-12)28-16(29)7-10-1-2-11(20(22,23)24)8-13(10)18(28)30;1-31-13-4-2-11-8-17(26)25(19(27)14(11)9-13)16-6-3-12(10-22-16)23-20(28)24-33(29,30)18-7-5-15(21)32-18;2*20-11-2-1-10-7-16(26)25(18(27)13(10)8-11)15-5-3-12(9-22-15)23-19(28)24-32(29,30)17-6-4-14(21)31-17;20-14-4-6-17(33-14)35(29,30)24-19(28)23-11-2-5-15(22-9-11)25-16(26)7-10-1-3-12(34-32-31-21)8-13(10)18(25)27/h3-8,11,13H,1-2,9-10,12H2,(H2,26,27,32);1-6,8-9H,7H2,(H2,26,27,31);2-7,9-10H,8H2,1H3,(H2,23,24,28);2*1-6,8-9H,7H2,(H2,23,24,28);1-6,8-9H,7,21H2,(H2,23,24,28)
InChIKeyACFDGYYTPXRQLP-UHFFFAOYSA-N
MW3105.90 g/mol
LogP17.49
Rot. Bonds29
About 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea
1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea (PubChem CID 157069051) has the molecular formula C120H85BrF10N26O33S13 and a molecular weight of 3105.90 g/mol. Its IUPAC name is 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea.
Molecular Properties
| Compound Name | 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea |
|---|---|
| PubChem CID | 157069051 |
| Molecular Formula | C120H85BrF10N26O33S13 |
| Molecular Weight | 3105.90 g/mol |
| Exact Mass | 3102.12 |
| IUPAC Name | 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea |
| SMILES | COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2.NOOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Br)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1 |
| InChI | InChI=1S/C23H20FN5O5S2.C20H12F4N4O5S2.C20H15FN4O6S2.C19H12BrFN4O5S2.C19H12F2N4O5S2.C19H14FN5O7S3/c24-18-6-8-21(35-18)36(33,34)27-23(32)26-15-3-7-19(25-13-15)29-20(30)12-14-11-16(28-9-1-2-10-28)4-5-17(14)22(29)31;21-14-4-6-17(34-14)35(32,33)27-19(31)26-12-3-5-15(25-9-12)28-16(29)7-10-1-2-11(20(22,23)24)8-13(10)18(28)30;1-31-13-4-2-11-8-17(26)25(19(27)14(11)9-13)16-6-3-12(10-22-16)23-20(28)24-33(29,30)18-7-5-15(21)32-18;2*20-11-2-1-10-7-16(26)25(18(27)13(10)8-11)15-5-3-12(9-22-15)23-19(28)24-32(29,30)17-6-4-14(21)31-17;20-14-4-6-17(33-14)35(29,30)24-19(28)23-11-2-5-15(22-9-11)25-16(26)7-10-1-3-12(34-32-31-21)8-13(10)18(25)27/h3-8,11,13H,1-2,9-10,12H2,(H2,26,27,32);1-6,8-9H,7H2,(H2,26,27,31);2-7,9-10H,8H2,1H3,(H2,23,24,28);2*1-6,8-9H,7H2,(H2,23,24,28);1-6,8-9H,7,21H2,(H2,23,24,28) |
| InChIKey | ACFDGYYTPXRQLP-UHFFFAOYSA-N |
| XLogP | 17.49 |
| TPSA | 810.19 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 203 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3105.90 |
| LogP ≤ 5 | 17.49 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 48 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea (CID 157069051) is 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea is COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2.NOOSc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2.O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(Br)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.O=C(Nc1ccc(N2C(=O)Cc3ccc(F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1.
What is the InChIKey of 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea?
The InChIKey is ACFDGYYTPXRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O5S2.C20H12F4N4O5S2.C20H15FN4O6S2.C19H12BrFN4O5S2.C19H12F2N4O5S2.C19H14FN5O7S3/c24-18-6-8-21(35-18)36(33,34)27-23(32)26-15-3-7-19(25-13-15)29-20(30)12-14-11-16(28-9-1-2-10-28)4-5-17(14)22(29)31;21-14-4-6-17(34-14)35(32,33)27-19(31)26-12-3-5-15(25-9-12)28-16(29)7-10-1-2-11(20(22,23)24)8-13(10)18(28)30;1-31-13-4-2-11-8-17(26)25(19(27)14(11)9-13)16-6-3-12(10-22-16)23-20(28)24-33(29,30)18-7-5-15(21)32-18;2*20-11-2-1-10-7-16(26)25(18(27)13(10)8-11)15-5-3-12(9-22-15)23-19(28)24-32(29,30)17-6-4-14(21)31-17;20-14-4-6-17(33-14)35(29,30)24-19(28)23-11-2-5-15(22-9-11)25-16(26)7-10-1-3-12(34-32-31-21)8-13(10)18(25)27/h3-8,11,13H,1-2,9-10,12H2,(H2,26,27,32);1-6,8-9H,7H2,(H2,26,27,31);2-7,9-10H,8H2,1H3,(H2,23,24,28);2*1-6,8-9H,7H2,(H2,23,24,28);1-6,8-9H,7,21H2,(H2,23,24,28).
What are the key properties of 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea?
1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea has a molecular weight of 3105.90 g/mol, XLogP of 17.49, 29 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(7-aminoperoxysulfanyl-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(1,3-dioxo-6-pyrrolidin-1-yl-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-[1,3-dioxo-7-(trifluoromethyl)-4H-isoquinolin-2-yl]-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-[6-(7-fluoro-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]-3-(5-fluorothiophen-2-yl)sulfonylurea;1-(5-fluorothiophen-2-yl)sulfonyl-3-[6-(7-methoxy-1,3-dioxo-4H-isoquinolin-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 157069051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157069051 — identifiers, structure, computed properties (public domain)
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