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

C63H71Cl3F3N17O3 — CID 158651246

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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 158651246) has the molecular formula C63H71Cl3F3N17O3 and a molecular weight of 1277.73 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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
• PubChem CID: 158651246
• Molecular Formula: C63H71Cl3F3N17O3
• Molecular Weight: 1277.73 g/mol
• Exact Mass: 1275.49
• 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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
• SMILES: CC(=O)NCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)C1.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.Clc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2cn[nH]c2c1
• InChI: InChI=1S/C19H20ClN5O.C16H17F3N4O.C14H17ClN4O.C14H17ClN4/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;1-22-11-3-2-9(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/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);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: IBOXCYPDRQBPME-FQMODFFGSA-N
• XLogP: 10.12
• TPSA: 221.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1277.73
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 158651246) 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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is CC(=O)NCC1(C)CN(c2cc(Cl)cc3[nH]ncc23)C1.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The InChIKey is IBOXCYPDRQBPME-FQMODFFGSA-N. The full InChI is InChI=1S/C19H20ClN5O.C16H17F3N4O.C14H17ClN4O.C14H17ClN4/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;1-22-11-3-2-9(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/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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 1277.73 g/mol, XLogP of 10.12, 8 rotatable bonds, 7 hydrogen bond donors, and 13 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-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(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 158651246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).