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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C74H70BrCl3F3N21O8 — CID 162112201

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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 162112201) has the molecular formula C74H70BrCl3F3N21O8 and a molecular weight of 1624.77 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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 162112201
• Molecular Formula: C74H70BrCl3F3N21O8
• Molecular Weight: 1624.77 g/mol
• Exact Mass: 1621.39
• 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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: 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.O=C1Nc2ccccc2NC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2
• InChI: InChI=1S/C21H20BrN5O2.C19H18ClN5O.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;20-12-9-16-13(11-21-24-16)17(10-12)25-7-5-19(6-8-25)18(26)22-14-3-1-2-4-15(14)23-19;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);1-4,9-11,23H,5-8H2,(H,21,24)(H,22,26);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: ZGHKIKZHDQITFL-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 343.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.77
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 162112201) 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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;8-(6-chloro-1H-indazol-4-yl)-3-(2,2,2-trifluoroethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is 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.O=C1Nc2ccccc2NC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.

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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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 ZGHKIKZHDQITFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2.C19H18ClN5O.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;20-12-9-16-13(11-21-24-16)17(10-12)25-7-5-19(6-8-25)18(26)22-14-3-1-2-4-15(14)23-19;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);1-4,9-11,23H,5-8H2,(H,21,24)(H,22,26);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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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 1624.77 g/mol, XLogP of 12.00, 9 rotatable bonds, 9 hydrogen bond donors, and 18 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-(1,3-oxazol-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;1'-(6-chloro-1H-indazol-4-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;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 162112201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).