8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C48H53Cl3N14O4S — CID 160588165

About 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 160588165) has the molecular formula C48H53Cl3N14O4S and a molecular weight of 1028.47 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 160588165
• Molecular Formula: C48H53Cl3N14O4S
• Molecular Weight: 1028.47 g/mol
• Exact Mass: 1026.32
• IUPAC Name: 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CC(C)N1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3nccs3)CC2)c2cn[nH]c2c1
• InChI: InChI=1S/C17H20ClN5O2.C16H18ClN5O2.C15H15ClN4S/c1-10(2)23-15(24)17(20-16(23)25)3-5-22(6-4-17)14-8-11(18)7-13-12(14)9-19-21-13;1-2-22-14(23)16(19-15(22)24)3-5-21(6-4-16)13-8-10(17)7-12-11(13)9-18-20-12;16-11-7-13-12(9-18-19-13)14(8-11)20-4-1-10(2-5-20)15-17-3-6-21-15/h7-10H,3-6H2,1-2H3,(H,19,21)(H,20,25);7-9H,2-6H2,1H3,(H,18,20)(H,19,24);3,6-10H,1-2,4-5H2,(H,18,19)
• InChIKey: RCQURWQJHZANGL-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 207.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.47
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 160588165) is 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)N1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.Clc1cc(N2CCC(c3nccs3)CC2)c2cn[nH]c2c1.

What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is RCQURWQJHZANGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2.C16H18ClN5O2.C15H15ClN4S/c1-10(2)23-15(24)17(20-16(23)25)3-5-22(6-4-17)14-8-11(18)7-13-12(14)9-19-21-13;1-2-22-14(23)16(19-15(22)24)3-5-21(6-4-16)13-8-10(17)7-12-11(13)9-18-20-12;16-11-7-13-12(9-18-19-13)14(8-11)20-4-1-10(2-5-20)15-17-3-6-21-15/h7-10H,3-6H2,1-2H3,(H,19,21)(H,20,25);7-9H,2-6H2,1H3,(H,18,20)(H,19,24);3,6-10H,1-2,4-5H2,(H,18,19).

What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1028.47 g/mol, XLogP of 8.70, 6 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;8-(6-chloro-1H-indazol-4-yl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 160588165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).