8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide

C62H66BrCl3N12O6S — CID 161205034

About 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide

8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide (PubChem CID 161205034) has the molecular formula C62H66BrCl3N12O6S and a molecular weight of 1293.62 g/mol. Its IUPAC name is 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide
• PubChem CID: 161205034
• Molecular Formula: C62H66BrCl3N12O6S
• Molecular Weight: 1293.62 g/mol
• Exact Mass: 1290.32
• IUPAC Name: 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide
• SMILES: CN1CC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CC1=O.CNC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)C1.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ccc23)cc1.O=C1NC(=O)C2(CCN(c3cc(Br)cc4[nH]ccc34)CC2)N1
• InChI: InChI=1S/C17H20ClN3O.C16H15ClN2O2S.C15H15BrN4O2.C14H16ClN3O/c1-20-11-17(10-16(20)22)3-6-21(7-4-17)15-9-12(18)8-14-13(15)2-5-19-14;1-22(20,21)19-10-11-2-4-12(5-3-11)15-8-13(17)9-16-14(15)6-7-18-16;16-9-7-11-10(1-4-17-11)12(8-9)20-5-2-15(3-6-20)13(21)18-14(22)19-15;1-16-14(19)9-3-5-18(8-9)13-7-10(15)6-12-11(13)2-4-17-12/h2,5,8-9,19H,3-4,6-7,10-11H2,1H3;2-9,18-19H,10H2,1H3;1,4,7-8,17H,2-3,5-6H2,(H2,18,19,21,22);2,4,6-7,9,17H,3,5,8H2,1H3,(H,16,19)
• InChIKey: UVMFXDYACBXFLF-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 226.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.62
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide?

The IUPAC name of 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide (CID 161205034) is 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide.

What is the SMILES notation for 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide?

The canonical SMILES for 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide is CN1CC2(CCN(c3cc(Cl)cc4[nH]ccc34)CC2)CC1=O.CNC(=O)C1CCN(c2cc(Cl)cc3[nH]ccc23)C1.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ccc23)cc1.O=C1NC(=O)C2(CCN(c3cc(Br)cc4[nH]ccc34)CC2)N1.

What is the InChIKey of 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide?

The InChIKey is UVMFXDYACBXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O.C16H15ClN2O2S.C15H15BrN4O2.C14H16ClN3O/c1-20-11-17(10-16(20)22)3-6-21(7-4-17)15-9-12(18)8-14-13(15)2-5-19-14;1-22(20,21)19-10-11-2-4-12(5-3-11)15-8-13(17)9-16-14(15)6-7-18-16;16-9-7-11-10(1-4-17-11)12(8-9)20-5-2-15(3-6-20)13(21)18-14(22)19-15;1-16-14(19)9-3-5-18(8-9)13-7-10(15)6-12-11(13)2-4-17-12/h2,5,8-9,19H,3-4,6-7,10-11H2,1H3;2-9,18-19H,10H2,1H3;1,4,7-8,17H,2-3,5-6H2,(H2,18,19,21,22);2,4,6-7,9,17H,3,5,8H2,1H3,(H,16,19).

What are the key properties of 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide?

8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 1293.62 g/mol, XLogP of 11.31, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-bromo-1H-indol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indol-4-yl)-N-methylpyrrolidine-3-carboxamide;N-[[4-(6-chloro-1H-indol-4-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 161205034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).