9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane

C62H80Cl4N18O4S2 — CID 161377394

IUPAC9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane
SMILESC.CN(C)C(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3nccs3)CC2)c2cn[nH]c2c1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1
InChIInChI=1S/C16H22ClN5O2S.C16H21ClN4O.C15H19ClN4O.C14H14ClN5S.CH4/c17-12-9-14-13(11-19-20-14)15(10-12)21-5-1-16(2-6-21)3-7-22(8-4-16)25(18,23)24;1-20(2)16(22)7-11-3-5-21(6-4-11)15-9-12(17)8-14-13(15)10-18-19-14;1-17-15(21)6-10-2-4-20(5-3-10)14-8-11(16)7-13-12(14)9-18-19-13;15-10-7-12-11(9-17-18-12)13(8-10)19-2-4-20(5-3-19)14-16-1-6-21-14;/h9-11H,1-8H2,(H,19,20)(H2,18,23,24);8-11H,3-7H2,1-2H3,(H,18,19);7-10H,2-6H2,1H3,(H,17,21)(H,18,19);1,6-9H,2-5H2,(H,17,18);1H4
InChIKeyVRGFSPCBKRMRGM-UHFFFAOYSA-N
MW1347.39 g/mol
LogP11.22
Rot. Bonds10

About 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane

9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane (PubChem CID 161377394) has the molecular formula C62H80Cl4N18O4S2 and a molecular weight of 1347.39 g/mol. Its IUPAC name is 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane.

Molecular Properties

Compound Name9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane
PubChem CID161377394
Molecular FormulaC62H80Cl4N18O4S2
Molecular Weight1347.39 g/mol
Exact Mass1344.48
IUPAC Name9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane
SMILESC.CN(C)C(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3nccs3)CC2)c2cn[nH]c2c1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1
InChIInChI=1S/C16H22ClN5O2S.C16H21ClN4O.C15H19ClN4O.C14H14ClN5S.CH4/c17-12-9-14-13(11-19-20-14)15(10-12)21-5-1-16(2-6-21)3-7-22(8-4-16)25(18,23)24;1-20(2)16(22)7-11-3-5-21(6-4-11)15-9-12(17)8-14-13(15)10-18-19-14;1-17-15(21)6-10-2-4-20(5-3-10)14-8-11(16)7-13-12(14)9-18-19-13;15-10-7-12-11(9-17-18-12)13(8-10)19-2-4-20(5-3-19)14-16-1-6-21-14;/h9-11H,1-8H2,(H,19,20)(H2,18,23,24);8-11H,3-7H2,1-2H3,(H,18,19);7-10H,2-6H2,1H3,(H,17,21)(H,18,19);1,6-9H,2-5H2,(H,17,18);1H4
InChIKeyVRGFSPCBKRMRGM-UHFFFAOYSA-N
XLogP11.22
TPSA256.62 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001347.39
LogP ≤ 511.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane with MolForge

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Related Compounds

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
9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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
CID 157274406
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
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;N-[4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]phenyl]acetamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
CID 158022716
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
4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
CID 158933599
7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;6-(difluoromethyl)-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 159423140
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1,3-thiazole
CID 159540145
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;9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-1,3-thiazole
CID 159923997
7-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonane-2-sulfonamide;9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;2-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;6-chloro-4-(1-methylpyrazol-4-yl)-1H-indazole
CID 160010222
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
6-chloro-4-piperidin-1-yl-1H-indazole;6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-indazole;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 160151876

Frequently Asked Questions

What is the IUPAC name of 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane?
The IUPAC name of 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane (CID 161377394) is 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane.
What is the SMILES notation for 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane?
The canonical SMILES for 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane is C.CN(C)C(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)CC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3nccs3)CC2)c2cn[nH]c2c1.NS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)CC1.
What is the InChIKey of 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane?
The InChIKey is VRGFSPCBKRMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2S.C16H21ClN4O.C15H19ClN4O.C14H14ClN5S.CH4/c17-12-9-14-13(11-19-20-14)15(10-12)21-5-1-16(2-6-21)3-7-22(8-4-16)25(18,23)24;1-20(2)16(22)7-11-3-5-21(6-4-11)15-9-12(17)8-14-13(15)10-18-19-14;1-17-15(21)6-10-2-4-20(5-3-10)14-8-11(16)7-13-12(14)9-18-19-13;15-10-7-12-11(9-17-18-12)13(8-10)19-2-4-20(5-3-19)14-16-1-6-21-14;/h9-11H,1-8H2,(H,19,20)(H2,18,23,24);8-11H,3-7H2,1-2H3,(H,18,19);7-10H,2-6H2,1H3,(H,17,21)(H,18,19);1,6-9H,2-5H2,(H,17,18);1H4.
What are the key properties of 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane?
9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane has a molecular weight of 1347.39 g/mol, XLogP of 11.22, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecane-3-sulfonamide;2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-1,3-thiazole;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;methane is sourced from PubChem (CID 161377394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).