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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide

C49H60Cl3N13O4S — CID 160930434

About 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide

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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide (PubChem CID 160930434) has the molecular formula C49H60Cl3N13O4S and a molecular weight of 1033.53 g/mol. Its IUPAC name is 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide
• PubChem CID: 160930434
• Molecular Formula: C49H60Cl3N13O4S
• Molecular Weight: 1033.53 g/mol
• Exact Mass: 1031.37
• IUPAC Name: 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide
• SMILES: 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.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
• InChI: InChI=1S/C19H20ClN5O.C16H23ClN4O2S.C14H17ClN4O/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17;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;1-9(20)16-6-14(2)7-19(8-14)13-4-10(15)3-12-11(13)5-17-18-12/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);7-9,15H,5-6,10H2,1-4H3,(H,18,19);3-5H,6-8H2,1-2H3,(H,16,20)(H,17,18)
• InChIKey: STEPXGPEMJZYJV-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 194.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.53
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?

The IUPAC name of 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide (CID 160930434) is 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide.

What is the SMILES notation for 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?

The canonical SMILES for 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide is 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.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.

What is the InChIKey of 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?

The InChIKey is STEPXGPEMJZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C16H23ClN4O2S.C14H17ClN4O/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17;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;1-9(20)16-6-14(2)7-19(8-14)13-4-10(15)3-12-11(13)5-17-18-12/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);7-9,15H,5-6,10H2,1-4H3,(H,18,19);3-5H,6-8H2,1-2H3,(H,16,20)(H,17,18).

What are the key properties of 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide?

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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide has a molecular weight of 1033.53 g/mol, XLogP of 7.79, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 160930434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).