2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole

C63H78Cl4N16O4S2 — CID 159923997

About 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole

2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 159923997) has the molecular formula C63H78Cl4N16O4S2 and a molecular weight of 1329.37 g/mol. Its IUPAC name is 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole
• PubChem CID: 159923997
• Molecular Formula: C63H78Cl4N16O4S2
• Molecular Weight: 1329.37 g/mol
• Exact Mass: 1326.46
• IUPAC Name: 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole
• SMILES: CN(C)C(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3nccs3)CC2)c2cc[nH]c2c1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CC1
• InChI: InChI=1S/C17H23ClN4O2S.C16H21ClN4O.C15H19ClN4O.C15H15ClN4S/c18-13-11-15-14(1-6-20-15)16(12-13)21-7-2-17(3-8-21)4-9-22(10-5-17)25(19,23)24;1-20(2)16(22)7-11-3-5-21(6-4-11)15-9-12(17)8-14-13(15)10-18-19-14;1-17-15(21)6-10-2-4-20(5-3-10)14-8-11(16)7-13-12(14)9-18-19-13;16-11-9-13-12(1-2-17-13)14(10-11)19-4-6-20(7-5-19)15-18-3-8-21-15/h1,6,11-12,20H,2-5,7-10H2,(H2,19,23,24);8-11H,3-7H2,1-2H3,(H,18,19);7-10H,2-6H2,1H3,(H,17,21)(H,18,19);1-3,8-10,17H,4-7H2
• InChIKey: NYTUADAWDREWED-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 230.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1329.37
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole?

The IUPAC name of 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole (CID 159923997) is 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole.

What is the SMILES notation for 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole?

The canonical SMILES for 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole is CN(C)C(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3nccs3)CC2)c2cc[nH]c2c1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CC1.

What is the InChIKey of 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole?

The InChIKey is NYTUADAWDREWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S.C16H21ClN4O.C15H19ClN4O.C15H15ClN4S/c18-13-11-15-14(1-6-20-15)16(12-13)21-7-2-17(3-8-21)4-9-22(10-5-17)25(19,23)24;1-20(2)16(22)7-11-3-5-21(6-4-11)15-9-12(17)8-14-13(15)10-18-19-14;1-17-15(21)6-10-2-4-20(5-3-10)14-8-11(16)7-13-12(14)9-18-19-13;16-11-9-13-12(1-2-17-13)14(10-11)19-4-6-20(7-5-19)15-18-3-8-21-15/h1,6,11-12,20H,2-5,7-10H2,(H2,19,23,24);8-11H,3-7H2,1-2H3,(H,18,19);7-10H,2-6H2,1H3,(H,17,21)(H,18,19);1-3,8-10,17H,4-7H2.

What are the key properties of 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole?

2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 1329.37 g/mol, XLogP of 11.79, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 159923997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).