3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C74H72BrCl3F3N23O9 — CID 161126474

About 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 161126474) has the molecular formula C74H72BrCl3F3N23O9 and a molecular weight of 1670.80 g/mol. Its IUPAC name is 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 161126474
• Molecular Formula: C74H72BrCl3F3N23O9
• Molecular Weight: 1670.80 g/mol
• Exact Mass: 1667.41
• IUPAC Name: 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: Cn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Br)cc4[nH]ncc34)CC2)C(=O)N1Cc1ccccc1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC(F)(F)F.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ncco1
• InChI: InChI=1S/C21H20BrN5O2.C19H20ClN7O2.C18H17ClN6O3.C16H15ClF3N5O2/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;1-25-7-4-21-16(25)11-27-17(28)19(23-18(27)29)2-5-26(6-3-19)15-9-12(20)8-14-13(15)10-22-24-14;19-11-7-13-12(9-21-23-13)14(8-11)24-4-1-18(2-5-24)16(26)25(17(27)22-18)10-15-20-3-6-28-15;17-9-5-11-10(7-21-23-11)12(6-9)24-3-1-15(2-4-24)13(26)25(14(27)22-15)8-16(18,19)20/h1-5,10-12H,6-9,13H2,(H,23,25)(H,24,29);4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29);3,6-9H,1-2,4-5,10H2,(H,21,23)(H,22,27);5-7H,1-4,8H2,(H,21,23)(H,22,27)
• InChIKey: ULPVICCSGDSBSG-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 369.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1670.80
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 161126474) is 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cn1ccnc1CN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.O=C1NC2(CCN(c3cc(Br)cc4[nH]ncc34)CC2)C(=O)N1Cc1ccccc1.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1CC(F)(F)F.O=C1NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C(=O)N1Cc1ncco1.

What is the InChIKey of 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is ULPVICCSGDSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2.C19H20ClN7O2.C18H17ClN6O3.C16H15ClF3N5O2/c22-15-10-17-16(12-23-25-17)18(11-15)26-8-6-21(7-9-26)19(28)27(20(29)24-21)13-14-4-2-1-3-5-14;1-25-7-4-21-16(25)11-27-17(28)19(23-18(27)29)2-5-26(6-3-19)15-9-12(20)8-14-13(15)10-22-24-14;19-11-7-13-12(9-21-23-13)14(8-11)24-4-1-18(2-5-24)16(26)25(17(27)22-18)10-15-20-3-6-28-15;17-9-5-11-10(7-21-23-11)12(6-9)24-3-1-15(2-4-24)13(26)25(14(27)22-15)8-16(18,19)20/h1-5,10-12H,6-9,13H2,(H,23,25)(H,24,29);4,7-10H,2-3,5-6,11H2,1H3,(H,22,24)(H,23,29);3,6-9H,1-2,4-5,10H2,(H,21,23)(H,22,27);5-7H,1-4,8H2,(H,21,23)(H,22,27).

What are the key properties of 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1670.80 g/mol, XLogP of 10.42, 11 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-[(1-methylimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 161126474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).