2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline

C67H85Cl3F3N19O8S — CID 159625005

About 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline

2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (PubChem CID 159625005) has the molecular formula C67H85Cl3F3N19O8S and a molecular weight of 1479.96 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.

Molecular Properties

• Compound Name: 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
• PubChem CID: 159625005
• Molecular Formula: C67H85Cl3F3N19O8S
• Molecular Weight: 1479.96 g/mol
• Exact Mass: 1477.56
• IUPAC Name: 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
• SMILES: CC(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.COC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21
• InChI: InChI=1S/C18H21ClN6O3.C17H21F3N4O2S.C16H22ClN5O.C16H21ClN4O2/c1-11(26)20-4-7-25-16(27)18(22-17(25)28)2-5-24(6-3-18)15-9-12(19)8-14-13(15)10-21-23-14;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;1-16(2)10-21(4-5-22(16)9-15(23)18-3)14-7-11(17)6-13-12(14)8-19-20-13;1-16(2)10-20(4-5-21(16)9-15(22)23-3)14-7-11(17)6-13-12(14)8-18-19-13/h8-10H,2-7H2,1H3,(H,20,26)(H,21,23)(H,22,28);8-10,14-15H,2-7H2,1H3,(H,21,22);6-8H,4-5,9-10H2,1-3H3,(H,18,23)(H,19,20);6-8H,4-5,9-10H2,1-3H3,(H,18,19)
• InChIKey: MOJKPWRLVOSDMH-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 305.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1479.96
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

The IUPAC name of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (CID 159625005) is 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.

What is the SMILES notation for 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

The canonical SMILES for 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is CC(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.COC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21.

What is the InChIKey of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

The InChIKey is MOJKPWRLVOSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O3.C17H21F3N4O2S.C16H22ClN5O.C16H21ClN4O2/c1-11(26)20-4-7-25-16(27)18(22-17(25)28)2-5-24(6-3-18)15-9-12(19)8-14-13(15)10-21-23-14;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;1-16(2)10-21(4-5-22(16)9-15(23)18-3)14-7-11(17)6-13-12(14)8-19-20-13;1-16(2)10-20(4-5-21(16)9-15(22)23-3)14-7-11(17)6-13-12(14)8-18-19-13/h8-10H,2-7H2,1H3,(H,20,26)(H,21,23)(H,22,28);8-10,14-15H,2-7H2,1H3,(H,21,22);6-8H,4-5,9-10H2,1-3H3,(H,18,23)(H,19,20);6-8H,4-5,9-10H2,1-3H3,(H,18,19).

What are the key properties of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline has a molecular weight of 1479.96 g/mol, XLogP of 8.37, 12 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is sourced from PubChem (CID 159625005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).