5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one

C123H73I2N21O18S8 — CID 159923672

IUPAC5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.N#Cc1ccc(Oc2ccc(-c3cnn(C4=CC(=O)NS4=O)c3)cc2)cc1.O=C1C=C(n2cc(-c3ccc(OCc4cccc(S(=O)(=O)N5CCCCC5)c4)cc3)cn2)S(=O)N1.O=C1C=C(n2cc(-c3ccccc3)cn2)S(=O)N1.O=C1C=C(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cn2)S(=O)N1.O=C1C=C(n2cc(I)cn2)S(=O)N1.O=C1C=C(n2cc(I)cn2)S(=O)N1
InChIInChI=1S/C36H6.C24H24N4O5S2.C20H14N4O4S2.C19H12N4O3S.C12H9N3O2S.2C6H4IN3O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;29-23-14-24(34(30)26-23)28-16-20(15-25-28)19-7-9-21(10-8-19)33-17-18-5-4-6-22(13-18)35(31,32)27-11-2-1-3-12-27;25-19-10-20(29(26)22-19)23-12-14(11-21-23)17-13-24(18-9-5-4-8-16(17)18)30(27,28)15-6-2-1-3-7-15;20-10-13-1-5-16(6-2-13)26-17-7-3-14(4-8-17)15-11-21-23(12-15)19-9-18(24)22-27(19)25;16-11-6-12(18(17)14-11)15-8-10(7-13-15)9-4-2-1-3-5-9;2*7-4-2-8-10(3-4)6-1-5(11)9-13(6)12/h1-2H3;4-10,13-16H,1-3,11-12,17H2,(H,26,29);1-13H,(H,22,25);1-9,11-12H,(H,22,24);1-8H,(H,14,16);2*1-3H,(H,9,11)
InChIKeyNYSUHVOHHJCYQX-UHFFFAOYSA-N
MW2643.41 g/mol
LogP10.42
Rot. Bonds19

About 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one

5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one (PubChem CID 159923672) has the molecular formula C123H73I2N21O18S8 and a molecular weight of 2643.41 g/mol. Its IUPAC name is 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one
PubChem CID159923672
Molecular FormulaC123H73I2N21O18S8
Molecular Weight2643.41 g/mol
Exact Mass2641.13
IUPAC Name5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.N#Cc1ccc(Oc2ccc(-c3cnn(C4=CC(=O)NS4=O)c3)cc2)cc1.O=C1C=C(n2cc(-c3ccc(OCc4cccc(S(=O)(=O)N5CCCCC5)c4)cc3)cn2)S(=O)N1.O=C1C=C(n2cc(-c3ccccc3)cn2)S(=O)N1.O=C1C=C(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cn2)S(=O)N1.O=C1C=C(n2cc(I)cn2)S(=O)N1.O=C1C=C(n2cc(I)cn2)S(=O)N1
InChIInChI=1S/C36H6.C24H24N4O5S2.C20H14N4O4S2.C19H12N4O3S.C12H9N3O2S.2C6H4IN3O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;29-23-14-24(34(30)26-23)28-16-20(15-25-28)19-7-9-21(10-8-19)33-17-18-5-4-6-22(13-18)35(31,32)27-11-2-1-3-12-27;25-19-10-20(29(26)22-19)23-12-14(11-21-23)17-13-24(18-9-5-4-8-16(17)18)30(27,28)15-6-2-1-3-7-15;20-10-13-1-5-16(6-2-13)26-17-7-3-14(4-8-17)15-11-21-23(12-15)19-9-18(24)22-27(19)25;16-11-6-12(18(17)14-11)15-8-10(7-13-15)9-4-2-1-3-5-9;2*7-4-2-8-10(3-4)6-1-5(11)9-13(6)12/h1-2H3;4-10,13-16H,1-3,11-12,17H2,(H,26,29);1-13H,(H,22,25);1-9,11-12H,(H,22,24);1-8H,(H,14,16);2*1-3H,(H,9,11)
InChIKeyNYSUHVOHHJCYQX-UHFFFAOYSA-N
XLogP10.42
TPSA502.64 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002643.41
LogP ≤ 510.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-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 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one (CID 159923672) is 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one is CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.N#Cc1ccc(Oc2ccc(-c3cnn(C4=CC(=O)NS4=O)c3)cc2)cc1.O=C1C=C(n2cc(-c3ccc(OCc4cccc(S(=O)(=O)N5CCCCC5)c4)cc3)cn2)S(=O)N1.O=C1C=C(n2cc(-c3ccccc3)cn2)S(=O)N1.O=C1C=C(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cn2)S(=O)N1.O=C1C=C(n2cc(I)cn2)S(=O)N1.O=C1C=C(n2cc(I)cn2)S(=O)N1.
What is the InChIKey of 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is NYSUHVOHHJCYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H6.C24H24N4O5S2.C20H14N4O4S2.C19H12N4O3S.C12H9N3O2S.2C6H4IN3O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;29-23-14-24(34(30)26-23)28-16-20(15-25-28)19-7-9-21(10-8-19)33-17-18-5-4-6-22(13-18)35(31,32)27-11-2-1-3-12-27;25-19-10-20(29(26)22-19)23-12-14(11-21-23)17-13-24(18-9-5-4-8-16(17)18)30(27,28)15-6-2-1-3-7-15;20-10-13-1-5-16(6-2-13)26-17-7-3-14(4-8-17)15-11-21-23(12-15)19-9-18(24)22-27(19)25;16-11-6-12(18(17)14-11)15-8-10(7-13-15)9-4-2-1-3-5-9;2*7-4-2-8-10(3-4)6-1-5(11)9-13(6)12/h1-2H3;4-10,13-16H,1-3,11-12,17H2,(H,26,29);1-13H,(H,22,25);1-9,11-12H,(H,22,24);1-8H,(H,14,16);2*1-3H,(H,9,11).
What are the key properties of 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one?
5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 2643.41 g/mol, XLogP of 10.42, 19 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(benzenesulfonyl)indol-3-yl]pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;4-[4-[1-(1,3-dioxo-1,2-thiazol-5-yl)pyrazol-4-yl]phenoxy]benzonitrile;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;bis(5-(4-iodopyrazol-1-yl)-1-oxo-1,2-thiazol-3-one);1-oxo-5-(4-phenylpyrazol-1-yl)-1,2-thiazol-3-one;1-oxo-5-[4-[4-[(3-piperidin-1-ylsulfonylphenyl)methoxy]phenyl]pyrazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 159923672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).