1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine

C80H94Cl4N20O8S3 — CID 159674734

About 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine

1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine (PubChem CID 159674734) has the molecular formula C80H94Cl4N20O8S3 and a molecular weight of 1701.78 g/mol. Its IUPAC name is 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine.

Molecular Properties

• Compound Name: 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine
• PubChem CID: 159674734
• Molecular Formula: C80H94Cl4N20O8S3
• Molecular Weight: 1701.78 g/mol
• Exact Mass: 1698.55
• IUPAC Name: 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine
• SMILES: CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CCC2.CC1(C)CN(c2cc(N3CCOCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CCC2.CS(=O)(=O)c1ccc(Nc2cc(Cl)cc3[nH]ncc23)cc1.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1
• InChI: InChI=1S/C18H27N5O3S.C17H17ClN4.C16H19ClN4O.C15H19ClN4O2S.C14H12ClN3O2S/c1-18(2)13-22(4-5-23(18)27(3,24)25)17-11-14(21-6-8-26-9-7-21)10-16-15(17)12-19-20-16;18-13-10-16-15(12-19-20-16)17(11-13)22-8-6-21(7-9-22)14-4-2-1-3-5-14;1-11(22)21-6-5-20(10-16(21)3-2-4-16)15-8-12(17)7-14-13(15)9-18-19-14;1-23(21,22)20-6-5-19(10-15(20)3-2-4-15)14-8-11(16)7-13-12(14)9-17-18-13;1-21(19,20)11-4-2-10(3-5-11)17-13-6-9(15)7-14-12(13)8-16-18-14/h10-12H,4-9,13H2,1-3H3,(H,19,20);1-5,10-12H,6-9H2,(H,19,20);7-9H,2-6,10H2,1H3,(H,18,19);7-9H,2-6,10H2,1H3,(H,17,18);2-8,17H,1H3,(H,16,18)
• InChIKey: MULLJFRSLGTOAG-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 313.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.78
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine?

The IUPAC name of 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine (CID 159674734) is 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine.

What is the SMILES notation for 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine?

The canonical SMILES for 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine is CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CCC2.CC1(C)CN(c2cc(N3CCOCC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CCC2.CS(=O)(=O)c1ccc(Nc2cc(Cl)cc3[nH]ncc23)cc1.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1.

What is the InChIKey of 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine?

The InChIKey is MULLJFRSLGTOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S.C17H17ClN4.C16H19ClN4O.C15H19ClN4O2S.C14H12ClN3O2S/c1-18(2)13-22(4-5-23(18)27(3,24)25)17-11-14(21-6-8-26-9-7-21)10-16-15(17)12-19-20-16;18-13-10-16-15(12-19-20-16)17(11-13)22-8-6-21(7-9-22)14-4-2-1-3-5-14;1-11(22)21-6-5-20(10-16(21)3-2-4-16)15-8-12(17)7-14-13(15)9-18-19-14;1-23(21,22)20-6-5-19(10-15(20)3-2-4-15)14-8-11(16)7-13-12(14)9-17-18-13;1-21(19,20)11-4-2-10(3-5-11)17-13-6-9(15)7-14-12(13)8-16-18-14/h10-12H,4-9,13H2,1-3H3,(H,19,20);1-5,10-12H,6-9H2,(H,19,20);7-9H,2-6,10H2,1H3,(H,18,19);7-9H,2-6,10H2,1H3,(H,17,18);2-8,17H,1H3,(H,16,18).

What are the key properties of 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine?

1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine has a molecular weight of 1701.78 g/mol, XLogP of 13.19, 11 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(6-chloro-1H-indazol-4-yl)-5,8-diazaspiro[3.5]nonan-5-yl]ethanone;6-chloro-4-(5-methylsulfonyl-5,8-diazaspiro[3.5]nonan-8-yl)-1H-indazole;6-chloro-N-(4-methylsulfonylphenyl)-1H-indazol-4-amine;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine is sourced from PubChem (CID 159674734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).