tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one

C118H85ClF2N22O16S6 — CID 162109804

About tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one

tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one (PubChem CID 162109804) has the molecular formula C118H85ClF2N22O16S6 and a molecular weight of 2332.97 g/mol. Its IUPAC name is tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one
• PubChem CID: 162109804
• Molecular Formula: C118H85ClF2N22O16S6
• Molecular Weight: 2332.97 g/mol
• Exact Mass: 2330.45
• IUPAC Name: tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(C)(C)OC(=O)N1CC=C(c2cccc3c2cnn3C2=CC(=O)NS2=O)CC1.CN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.O=C1C=C(n2ncc3c(-c4ccccc4Cl)cccc32)S(=O)N1.O=C1C=C(n2ncc3c(-c4cccnc4)cccc32)S(=O)N1.O=C1C=C(n2ncc3c(C4=CCC(F)(F)CC4)cccc32)S(=O)N1.O=C1C=C(n2ncc3c(C4=CCOCC4)cccc32)S(=O)N1
• InChI: InChI=1S/C20H22N4O4S.C18H15N5O3S.C18H2.C16H10ClN3O2S.C16H13F2N3O2S.C15H10N4O2S.C15H13N3O3S/c1-20(2,3)28-19(26)23-9-7-13(8-10-23)14-5-4-6-16-15(14)12-21-24(16)18-11-17(25)22-29(18)27;1-22-4-5-26-15-7-12(9-19-18(15)22)11-2-3-14-13(6-11)10-20-23(14)17-8-16(24)21-27(17)25;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;17-13-6-2-1-4-11(13)10-5-3-7-14-12(10)9-18-20(14)16-8-15(21)19-23(16)22;17-16(18)6-4-10(5-7-16)11-2-1-3-13-12(11)9-19-21(13)15-8-14(22)20-24(15)23;20-14-7-15(22(21)18-14)19-13-5-1-4-11(12(13)9-17-19)10-3-2-6-16-8-10;19-14-8-15(22(20)17-14)18-13-3-1-2-11(12(13)9-16-18)10-4-6-21-7-5-10/h4-7,11-12H,8-10H2,1-3H3,(H,22,25);2-3,6-10H,4-5H2,1H3,(H,21,24);1-2H;1-9H,(H,19,21);1-4,8-9H,5-7H2,(H,20,22);1-9H,(H,18,20);1-4,8-9H,5-7H2,(H,17,19)
• InChIKey: ZFZOHQUBEZNDJG-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 460.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.97
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one?

The IUPAC name of tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one (CID 162109804) is tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one.

What is the SMILES notation for tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one?

The canonical SMILES for tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one is C#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(C)(C)OC(=O)N1CC=C(c2cccc3c2cnn3C2=CC(=O)NS2=O)CC1.CN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.O=C1C=C(n2ncc3c(-c4ccccc4Cl)cccc32)S(=O)N1.O=C1C=C(n2ncc3c(-c4cccnc4)cccc32)S(=O)N1.O=C1C=C(n2ncc3c(C4=CCC(F)(F)CC4)cccc32)S(=O)N1.O=C1C=C(n2ncc3c(C4=CCOCC4)cccc32)S(=O)N1.

What is the InChIKey of tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one?

The InChIKey is ZFZOHQUBEZNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S.C18H15N5O3S.C18H2.C16H10ClN3O2S.C16H13F2N3O2S.C15H10N4O2S.C15H13N3O3S/c1-20(2,3)28-19(26)23-9-7-13(8-10-23)14-5-4-6-16-15(14)12-21-24(16)18-11-17(25)22-29(18)27;1-22-4-5-26-15-7-12(9-19-18(15)22)11-2-3-14-13(6-11)10-20-23(14)17-8-16(24)21-27(17)25;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;17-13-6-2-1-4-11(13)10-5-3-7-14-12(10)9-18-20(14)16-8-15(21)19-23(16)22;17-16(18)6-4-10(5-7-16)11-2-1-3-13-12(11)9-19-21(13)15-8-14(22)20-24(15)23;20-14-7-15(22(21)18-14)19-13-5-1-4-11(12(13)9-17-19)10-3-2-6-16-8-10;19-14-8-15(22(20)17-14)18-13-3-1-2-11(12(13)9-16-18)10-4-6-21-7-5-10/h4-7,11-12H,8-10H2,1-3H3,(H,22,25);2-3,6-10H,4-5H2,1H3,(H,21,24);1-2H;1-9H,(H,19,21);1-4,8-9H,5-7H2,(H,20,22);1-9H,(H,18,20);1-4,8-9H,5-7H2,(H,17,19).

What are the key properties of tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one?

tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one has a molecular weight of 2332.97 g/mol, XLogP of 13.35, 12 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;5-[4-(2-chlorophenyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(4,4-difluorocyclohexen-1-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3,6-dihydro-2H-pyran-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;octadeca-1,3,5,7,9,11,13,15,17-nonayne;1-oxo-5-(4-pyridin-3-ylindazol-1-yl)-1,2-thiazol-3-one is sourced from PubChem (CID 162109804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).