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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide

C78H105Cl2N23O13S6 — CID 158766716

IUPAC7-(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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.CN(c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1)S(C)(=O)=O.CS(=O)(=O)N1C2COCC1CN(c1cc(Cl)cc3[nH]ncc13)C2.Clc1cc(N2CCC(c3nccs3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C17H25N5O3S.C16H25N5O4S2.C16H23N5O3S.C15H15ClN4S.C14H17ClN4O3S/c1-12(23)20(4)13-8-15-14(10-18-19-15)16(9-13)21-6-7-22(26(5,24)25)17(2,3)11-21;1-16(2)11-20(6-7-21(16)27(5,24)25)15-9-12(19(3)26(4,22)23)8-14-13(15)10-17-18-14;1-11(22)18-12-7-14-13(9-17-19-14)15(8-12)20-5-6-21(25(4,23)24)16(2,3)10-20;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/h8-10H,6-7,11H2,1-5H3,(H,18,19);8-10H,6-7,11H2,1-5H3,(H,17,18);7-9H,5-6,10H2,1-4H3,(H,17,19)(H,18,22);3,6-10H,1-2,4-5H2,(H,18,19);2-4,10-11H,5-8H2,1H3,(H,16,17)
InChIKeyIPIUILHXYABRJK-UHFFFAOYSA-N
MW1836.15 g/mol
LogP8.73
Rot. Bonds14

About 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide

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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide (PubChem CID 158766716) has the molecular formula C78H105Cl2N23O13S6 and a molecular weight of 1836.15 g/mol. Its IUPAC name is 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name7-(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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide
PubChem CID158766716
Molecular FormulaC78H105Cl2N23O13S6
Molecular Weight1836.15 g/mol
Exact Mass1833.60
IUPAC Name7-(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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide
SMILESCC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.CN(c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1)S(C)(=O)=O.CS(=O)(=O)N1C2COCC1CN(c1cc(Cl)cc3[nH]ncc13)C2.Clc1cc(N2CCC(c3nccs3)CC2)c2cn[nH]c2c1
InChIInChI=1S/C17H25N5O3S.C16H25N5O4S2.C16H23N5O3S.C15H15ClN4S.C14H17ClN4O3S/c1-12(23)20(4)13-8-15-14(10-18-19-15)16(9-13)21-6-7-22(26(5,24)25)17(2,3)11-21;1-16(2)11-20(6-7-21(16)27(5,24)25)15-9-12(19(3)26(4,22)23)8-14-13(15)10-17-18-14;1-11(22)18-12-7-14-13(9-17-19-14)15(8-12)20-5-6-21(25(4,23)24)16(2,3)10-20;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/h8-10H,6-7,11H2,1-5H3,(H,18,19);8-10H,6-7,11H2,1-5H3,(H,17,18);7-9H,5-6,10H2,1-4H3,(H,17,19)(H,18,22);3,6-10H,1-2,4-5H2,(H,18,19);2-4,10-11H,5-8H2,1H3,(H,16,17)
InChIKeyIPIUILHXYABRJK-UHFFFAOYSA-N
XLogP8.73
TPSA418.03 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001836.15
LogP ≤ 58.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

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-phenylpiperidin-1-yl)-1H-indazole;4-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]morpholine
CID 157102329
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decane-2-sulfonamide;9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N,N-dimethylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
CID 157135241
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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide
CID 157706029
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
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
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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide
CID 160100839
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
2-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indol-6-yl]-N-methylmethanesulfonamide
CID 160808884
2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide
CID 161533880

Frequently Asked Questions

What is the IUPAC name of 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide?
The IUPAC name of 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide (CID 158766716) is 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide is CC(=O)N(C)c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.CC(=O)Nc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.CN(c1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1)S(C)(=O)=O.CS(=O)(=O)N1C2COCC1CN(c1cc(Cl)cc3[nH]ncc13)C2.Clc1cc(N2CCC(c3nccs3)CC2)c2cn[nH]c2c1.
What is the InChIKey of 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide?
The InChIKey is IPIUILHXYABRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S.C16H25N5O4S2.C16H23N5O3S.C15H15ClN4S.C14H17ClN4O3S/c1-12(23)20(4)13-8-15-14(10-18-19-15)16(9-13)21-6-7-22(26(5,24)25)17(2,3)11-21;1-16(2)11-20(6-7-21(16)27(5,24)25)15-9-12(19(3)26(4,22)23)8-14-13(15)10-17-18-14;1-11(22)18-12-7-14-13(9-17-19-14)15(8-12)20-5-6-21(25(4,23)24)16(2,3)10-20;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/h8-10H,6-7,11H2,1-5H3,(H,18,19);8-10H,6-7,11H2,1-5H3,(H,17,18);7-9H,5-6,10H2,1-4H3,(H,17,19)(H,18,22);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 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide?
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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide has a molecular weight of 1836.15 g/mol, XLogP of 8.73, 14 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylacetamide;N-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 158766716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).