(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C78H85BrCl3F3N22O5S — CID 161299647

About (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (PubChem CID 161299647) has the molecular formula C78H85BrCl3F3N22O5S and a molecular weight of 1686.01 g/mol. Its IUPAC name is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

Molecular Properties

• Compound Name: (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
• PubChem CID: 161299647
• Molecular Formula: C78H85BrCl3F3N22O5S
• Molecular Weight: 1686.01 g/mol
• Exact Mass: 1682.50
• IUPAC Name: (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
• SMILES: CC1N=CN=C1N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(Cl)cc3[nH]ncc13)C2.CS(=O)(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.O=C1N[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2
• InChI: InChI=1S/C19H21ClN4O2S.C15H17ClN6.C15H17ClN4O.C15H15F3N4O.C14H15BrN4O/c1-27(25,26)23-16-4-2-13(3-5-16)14-6-8-24(9-7-14)19-11-15(20)10-18-17(19)12-21-22-18;1-10-15(18-9-17-10)22-4-2-21(3-5-22)14-7-11(16)6-13-12(14)8-19-20-13;1-19-11-3-2-9(15(19)21)7-20(8-11)14-5-10(16)4-13-12(14)6-17-18-13;16-15(17,18)9-3-12-11(5-19-21-12)13(4-9)22-6-8-1-2-10(7-22)20-14(8)23;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20/h2-5,10-12,14,23H,6-9H2,1H3,(H,21,22);6-10H,2-5H2,1H3,(H,19,20);4-6,9,11H,2-3,7-8H2,1H3,(H,17,18);3-5,8,10H,1-2,6-7H2,(H,19,21)(H,20,23);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20)/t;;9-,11+;2*8-,10+/m..111/s1
• InChIKey: VHKXXWVCSPBDIM-SEGIZVDDSA-N
• XLogP: 12.75
• TPSA: 312.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1686.01
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The IUPAC name of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one (CID 161299647) is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one.

What is the SMILES notation for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The canonical SMILES for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is CC1N=CN=C1N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(Cl)cc3[nH]ncc13)C2.CS(=O)(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.O=C1N[C@H]2CC[C@@H]1CN(c1cc(Br)cc3[nH]ncc13)C2.O=C1N[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc3[nH]ncc13)C2.

What is the InChIKey of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

The InChIKey is VHKXXWVCSPBDIM-SEGIZVDDSA-N. The full InChI is InChI=1S/C19H21ClN4O2S.C15H17ClN6.C15H17ClN4O.C15H15F3N4O.C14H15BrN4O/c1-27(25,26)23-16-4-2-13(3-5-16)14-6-8-24(9-7-14)19-11-15(20)10-18-17(19)12-21-22-18;1-10-15(18-9-17-10)22-4-2-21(3-5-22)14-7-11(16)6-13-12(14)8-19-20-13;1-19-11-3-2-9(15(19)21)7-20(8-11)14-5-10(16)4-13-12(14)6-17-18-13;16-15(17,18)9-3-12-11(5-19-21-12)13(4-9)22-6-8-1-2-10(7-22)20-14(8)23;15-9-3-12-11(5-16-18-12)13(4-9)19-6-8-1-2-10(7-19)17-14(8)20/h2-5,10-12,14,23H,6-9H2,1H3,(H,21,22);6-10H,2-5H2,1H3,(H,19,20);4-6,9,11H,2-3,7-8H2,1H3,(H,17,18);3-5,8,10H,1-2,6-7H2,(H,19,21)(H,20,23);3-5,8,10H,1-2,6-7H2,(H,16,18)(H,17,20)/t;;9-,11+;2*8-,10+/m..111/s1.

What are the key properties of (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one?

(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one has a molecular weight of 1686.01 g/mol, XLogP of 12.75, 8 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one;(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(4-methyl-4H-imidazol-5-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one is sourced from PubChem (CID 161299647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).