6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C77H97Cl4F3N20O5S — CID 158376020

About 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 158376020) has the molecular formula C77H97Cl4F3N20O5S and a molecular weight of 1613.63 g/mol. Its IUPAC name is 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

• Compound Name: 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
• PubChem CID: 158376020
• Molecular Formula: C77H97Cl4F3N20O5S
• Molecular Weight: 1613.63 g/mol
• Exact Mass: 1610.64
• IUPAC Name: 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
• SMILES: CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC(=O)NCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)C1.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2.Clc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2cn[nH]c2c1
• InChI: InChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H17F3N4O.C14H17ClN4O.C14H17ClN4/c1-11(23)21(4)16-5-6-22(10-17(16,2)3)15-8-12(18)7-14-13(15)9-19-20-14;1-16(2)10-21(6-5-15(16)20(3)24(4,22)23)14-8-11(17)7-13-12(14)9-18-19-13;1-22-11-3-2-9(15(22)24)7-23(8-11)14-5-10(16(17,18)19)4-13-12(14)6-20-21-13;1-9(20)16-6-14(2)7-19(8-14)13-4-10(15)3-12-11(13)5-17-18-12;15-10-3-13-12(6-17-18-13)14(4-10)19-7-9-1-2-11(8-19)16-5-9/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);4-6,9,11H,2-3,7-8H2,1H3,(H,20,21);3-5H,6-8H2,1-2H3,(H,16,20)(H,17,18);3-4,6,9,11,16H,1-2,5,7-8H2,(H,17,18)/t;;9-,11+;;9-,11-/m..1.0/s1
• InChIKey: GVEXLMCRFYQQCZ-PUDIIGQTSA-N
• XLogP: 13.23
• TPSA: 278.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1613.63
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The IUPAC name of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 158376020) is 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

What is the SMILES notation for 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The canonical SMILES for 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC(=O)NCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)C1.CN(C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C)S(C)(=O)=O.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2.Clc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2cn[nH]c2c1.

What is the InChIKey of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The InChIKey is GVEXLMCRFYQQCZ-PUDIIGQTSA-N. The full InChI is InChI=1S/C17H23ClN4O.C16H23ClN4O2S.C16H17F3N4O.C14H17ClN4O.C14H17ClN4/c1-11(23)21(4)16-5-6-22(10-17(16,2)3)15-8-12(18)7-14-13(15)9-19-20-14;1-16(2)10-21(6-5-15(16)20(3)24(4,22)23)14-8-11(17)7-13-12(14)9-18-19-13;1-22-11-3-2-9(15(22)24)7-23(8-11)14-5-10(16(17,18)19)4-13-12(14)6-20-21-13;1-9(20)16-6-14(2)7-19(8-14)13-4-10(15)3-12-11(13)5-17-18-12;15-10-3-13-12(6-17-18-13)14(4-10)19-7-9-1-2-11(8-19)16-5-9/h7-9,16H,5-6,10H2,1-4H3,(H,19,20);7-9,15H,5-6,10H2,1-4H3,(H,18,19);4-6,9,11H,2-3,7-8H2,1H3,(H,20,21);3-5H,6-8H2,1-2H3,(H,16,20)(H,17,18);3-4,6,9,11,16H,1-2,5,7-8H2,(H,17,18)/t;;9-,11+;;9-,11-/m..1.0/s1.

What are the key properties of 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 1613.63 g/mol, XLogP of 13.23, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 158376020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).