2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole

C57H78Cl3N17O8S3 — CID 159438999

About 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole

2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole (PubChem CID 159438999) has the molecular formula C57H78Cl3N17O8S3 and a molecular weight of 1331.92 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole.

Molecular Properties

• Compound Name: 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole
• PubChem CID: 159438999
• Molecular Formula: C57H78Cl3N17O8S3
• Molecular Weight: 1331.92 g/mol
• Exact Mass: 1329.44
• IUPAC Name: 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole
• SMILES: CC(C)c1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CN(C)C(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCCS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Cc1[nH]nc2cc(Cl)cc(N3CCN(S(C)(=O)=O)CC3)c12
• InChI: InChI=1S/C15H20ClN5O.C15H22N4O2S.C14H19ClN4O3S.C13H17ClN4O2S/c1-19(2)15(22)10-20-3-5-21(6-4-20)14-8-11(16)7-13-12(14)9-17-18-13;1-11(2)12-8-14-13(10-16-17-14)15(9-12)18-4-6-19(7-5-18)22(3,20)21;1-22-6-7-23(20,21)19-4-2-18(3-5-19)14-9-11(15)8-13-12(14)10-16-17-13;1-9-13-11(16-15-9)7-10(14)8-12(13)17-3-5-18(6-4-17)21(2,19)20/h7-9H,3-6,10H2,1-2H3,(H,17,18);8-11H,4-7H2,1-3H3,(H,16,17);8-10H,2-7H2,1H3,(H,16,17);7-8H,3-6H2,1-2H3,(H,15,16)
• InChIKey: LRXXDRZWPDWZCQ-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 272.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.92
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole?

The IUPAC name of 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole (CID 159438999) is 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole.

What is the SMILES notation for 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole?

The canonical SMILES for 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole is CC(C)c1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.CN(C)C(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCCS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Cc1[nH]nc2cc(Cl)cc(N3CCN(S(C)(=O)=O)CC3)c12.

What is the InChIKey of 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole?

The InChIKey is LRXXDRZWPDWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O.C15H22N4O2S.C14H19ClN4O3S.C13H17ClN4O2S/c1-19(2)15(22)10-20-3-5-21(6-4-20)14-8-11(16)7-13-12(14)9-17-18-13;1-11(2)12-8-14-13(10-16-17-14)15(9-12)18-4-6-19(7-5-18)22(3,20)21;1-22-6-7-23(20,21)19-4-2-18(3-5-19)14-9-11(15)8-13-12(14)10-16-17-13;1-9-13-11(16-15-9)7-10(14)8-12(13)17-3-5-18(6-4-17)21(2,19)20/h7-9H,3-6,10H2,1-2H3,(H,17,18);8-11H,4-7H2,1-3H3,(H,16,17);8-10H,2-7H2,1H3,(H,16,17);7-8H,3-6H2,1-2H3,(H,15,16).

What are the key properties of 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole?

2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole has a molecular weight of 1331.92 g/mol, XLogP of 6.12, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole is sourced from PubChem (CID 159438999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).