8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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

C62H70Cl4N18O7S2 — CID 158719098

About 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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 158719098) has the molecular formula C62H70Cl4N18O7S2 and a molecular weight of 1385.31 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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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: 158719098
• Molecular Formula: C62H70Cl4N18O7S2
• Molecular Weight: 1385.31 g/mol
• Exact Mass: 1382.39
• IUPAC Name: 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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.CS(=O)(=O)N1C2COCC1CN(c1cc(Cl)cc3[nH]ncc13)C2.Clc1cc(N2CCC(c3nccs3)CC2)c2cn[nH]c2c1
• InChI: InChI=1S/C17H20ClN5O2.C16H18ClN5O2.C15H15ClN4S.C14H17ClN4O3S/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;1-23(20,21)19-10-5-18(6-11(19)8-22-7-10)14-3-9(15)2-13-12(14)4-16-17-13/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);2-4,10-11H,5-8H2,1H3,(H,16,17)
• InChIKey: IJRMAAKQRIJALW-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 286.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1385.31
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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 158719098) is 8-(6-chloro-1H-indazol-4-yl)-3-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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.CS(=O)(=O)N1C2COCC1CN(c1cc(Cl)cc3[nH]ncc13)C2.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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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 IJRMAAKQRIJALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2.C16H18ClN5O2.C15H15ClN4S.C14H17ClN4O3S/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;1-23(20,21)19-10-5-18(6-11(19)8-22-7-10)14-3-9(15)2-13-12(14)4-16-17-13/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);2-4,10-11H,5-8H2,1H3,(H,16,17).

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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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 1385.31 g/mol, XLogP of 9.76, 8 rotatable bonds, 6 hydrogen bond donors, and 17 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;7-(6-chloro-1H-indazol-4-yl)-9-methylsulfonyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;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 158719098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).