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

C45H47BrCl2N12O5S — CID 160506755

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

8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide (PubChem CID 160506755) has the molecular formula C45H47BrCl2N12O5S and a molecular weight of 1018.83 g/mol. Its IUPAC name is 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide
• PubChem CID: 160506755
• Molecular Formula: C45H47BrCl2N12O5S
• Molecular Weight: 1018.83 g/mol
• Exact Mass: 1016.21
• IUPAC Name: 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide
• SMILES: CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C1NC(=O)C2(CCN(c3cc(Br)cc4[nH]ncc34)CC2)N1
• InChI: InChI=1S/C16H19ClN4O.C15H14ClN3O2S.C14H14BrN5O2/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;15-8-5-10-9(7-16-19-10)11(6-8)20-3-1-14(2-4-20)12(21)17-13(22)18-14/h6-7,9H,2-5,8,10H2,1H3,(H,18,19);2-7,9,18H,8H2,1H3,(H,17,19);5-7H,1-4H2,(H,16,19)(H2,17,18,21,22)
• InChIKey: QSMXFDKUNFWUAJ-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 217.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1018.83
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide (CID 160506755) is 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide.

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

The canonical SMILES for 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide is CN1CC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C1NC(=O)C2(CCN(c3cc(Br)cc4[nH]ncc34)CC2)N1.

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

The InChIKey is QSMXFDKUNFWUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.C15H14ClN3O2S.C14H14BrN5O2/c1-20-10-16(8-15(20)22)2-4-21(5-3-16)14-7-11(17)6-13-12(14)9-18-19-13;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;15-8-5-10-9(7-16-19-10)11(6-8)20-3-1-14(2-4-20)12(21)17-13(22)18-14/h6-7,9H,2-5,8,10H2,1H3,(H,18,19);2-7,9,18H,8H2,1H3,(H,17,19);5-7H,1-4H2,(H,16,19)(H2,17,18,21,22).

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

8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 1018.83 g/mol, XLogP of 7.10, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-bromo-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 160506755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).