(1R,5S)-3-(6-bromo-1H-indazol-4-yl)-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-(1-methylimidazol-2-yl)piperazin-1-yl]-1H-indazole;(1R,5S)-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one

C63H68BrCl2F3N18O4S — CID 159820851

About (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-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-(1-methylimidazol-2-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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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 159820851) has the molecular formula C63H68BrCl2F3N18O4S and a molecular weight of 1381.23 g/mol. Its IUPAC name is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-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-(1-methylimidazol-2-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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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: 159820851
• Molecular Formula: C63H68BrCl2F3N18O4S
• Molecular Weight: 1381.23 g/mol
• Exact Mass: 1378.39
• IUPAC Name: (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-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-(1-methylimidazol-2-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: CS(=O)(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.Cn1ccnc1N1CCN(c2cc(Cl)cc3[nH]ncc23)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.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;1-20-3-2-17-15(20)22-6-4-21(5-7-22)14-9-11(16)8-13-12(14)10-18-19-13;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);2-3,8-10H,4-7H2,1H3,(H,18,19);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;;2*8-,10+/m..11/s1
• InChIKey: NMFDQKXSRKYYSJ-RSUISEAHSA-N
• XLogP: 10.58
• TPSA: 253.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1381.23
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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 159820851) is (1R,5S)-3-(6-bromo-1H-indazol-4-yl)-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-(1-methylimidazol-2-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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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 CS(=O)(=O)Nc1ccc(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.Cn1ccnc1N1CCN(c2cc(Cl)cc3[nH]ncc23)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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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 NMFDQKXSRKYYSJ-RSUISEAHSA-N. The full InChI is InChI=1S/C19H21ClN4O2S.C15H17ClN6.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;1-20-3-2-17-15(20)22-6-4-21(5-7-22)14-9-11(16)8-13-12(14)10-18-19-13;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);2-3,8-10H,4-7H2,1H3,(H,18,19);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;;2*8-,10+/m..11/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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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 1381.23 g/mol, XLogP of 10.58, 8 rotatable bonds, 7 hydrogen bond donors, and 15 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;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]methanesulfonamide;6-chloro-4-[4-(1-methylimidazol-2-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 159820851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).