6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C77H85Cl2F6N19O9S3 — CID 158085037

About 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 158085037) has the molecular formula C77H85Cl2F6N19O9S3 and a molecular weight of 1701.75 g/mol. Its IUPAC name is 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 158085037
• Molecular Formula: C77H85Cl2F6N19O9S3
• Molecular Weight: 1701.75 g/mol
• Exact Mass: 1699.52
• IUPAC Name: 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CC1(C)CC(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)c2ccccc21.O=C1NC(=O)C2(CCN(c3cc(C(F)(F)F)cc4[nH]ncc34)CC2)N1.O=C1NCCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.O=S(=O)(C1CC1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C17H15F3N4O2S.C15H17ClN4O.C15H18ClN3O2S.C15H14F3N5O2.C15H21N3O2S/c1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;16-10-7-12-11(9-18-19-12)13(8-10)20-5-2-15(3-6-20)1-4-17-14(15)21;16-11-7-13(14-9-17-18-15(14)8-11)10-3-5-19(6-4-10)22(20,21)12-1-2-12;16-15(17,18)8-5-10-9(7-19-22-10)11(6-8)23-3-1-14(2-4-23)12(24)20-13(25)21-14;1-15(2)9-11(7-8-18(15)21(3,19)20)12-5-4-6-14-13(12)10-16-17-14/h2-5,8-10H,6-7H2,1H3,(H,21,22);7-9H,1-6H2,(H,17,21)(H,18,19);7-10,12H,1-6H2,(H,17,18);5-7H,1-4H2,(H,19,22)(H2,20,21,24,25);4-6,10-11H,7-9H2,1-3H3,(H,16,17)
• InChIKey: FNKJBPSNKSFKDW-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 352.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.75
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	8
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 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 158085037) is 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1(C)CC(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)c2ccccc21.O=C1NC(=O)C2(CCN(c3cc(C(F)(F)F)cc4[nH]ncc34)CC2)N1.O=C1NCCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.O=S(=O)(C1CC1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is FNKJBPSNKSFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S.C15H17ClN4O.C15H18ClN3O2S.C15H14F3N5O2.C15H21N3O2S/c1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;16-10-7-12-11(9-18-19-12)13(8-10)20-5-2-15(3-6-20)1-4-17-14(15)21;16-11-7-13(14-9-17-18-15(14)8-11)10-3-5-19(6-4-10)22(20,21)12-1-2-12;16-15(17,18)8-5-10-9(7-19-22-10)11(6-8)23-3-1-14(2-4-23)12(24)20-13(25)21-14;1-15(2)9-11(7-8-18(15)21(3,19)20)12-5-4-6-14-13(12)10-16-17-14/h2-5,8-10H,6-7H2,1H3,(H,21,22);7-9H,1-6H2,(H,17,21)(H,18,19);7-10,12H,1-6H2,(H,17,18);5-7H,1-4H2,(H,19,22)(H2,20,21,24,25);4-6,10-11H,7-9H2,1-3H3,(H,16,17).

What are the key properties of 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1701.75 g/mol, XLogP of 12.95, 9 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 158085037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).