4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone

C75H91Cl5N20O9S2 — CID 158166355

IUPAC4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CC(C)(O)C(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C15H19ClN4O2.C15H19ClN4O.C14H17ClN4O2.C12H16ClN5O2S/c20-16-10-17(18-12-21-22-19(18)11-16)15-6-8-23(9-7-15)26(24,25)13-14-4-2-1-3-5-14;1-15(2,22)14(21)20-5-3-19(4-6-20)13-8-10(16)7-12-11(13)9-17-18-12;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-21-9-14(20)19-4-2-18(3-5-19)13-7-10(15)6-12-11(13)8-16-17-12;1-14-21(19,20)18-4-2-17(3-5-18)12-7-9(13)6-11-10(12)8-15-16-11/h1-5,10-12,15H,6-9,13H2,(H,21,22);7-9,22H,3-6H2,1-2H3,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8H,2-5,9H2,1H3,(H,16,17);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;;
InChIKeyFWWSAKLRZAGFIA-GVQGZKJFSA-N
MW1658.08 g/mol
LogP10.54
Rot. Bonds13

About 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone

4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 158166355) has the molecular formula C75H91Cl5N20O9S2 and a molecular weight of 1658.08 g/mol. Its IUPAC name is 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID158166355
Molecular FormulaC75H91Cl5N20O9S2
Molecular Weight1658.08 g/mol
Exact Mass1654.52
IUPAC Name4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CC(C)(O)C(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C15H19ClN4O2.C15H19ClN4O.C14H17ClN4O2.C12H16ClN5O2S/c20-16-10-17(18-12-21-22-19(18)11-16)15-6-8-23(9-7-15)26(24,25)13-14-4-2-1-3-5-14;1-15(2,22)14(21)20-5-3-19(4-6-20)13-8-10(16)7-12-11(13)9-17-18-12;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-21-9-14(20)19-4-2-18(3-5-19)13-7-10(15)6-12-11(13)8-16-17-12;1-14-21(19,20)18-4-2-17(3-5-18)12-7-9(13)6-11-10(12)8-15-16-11/h1-5,10-12,15H,6-9,13H2,(H,21,22);7-9,22H,3-6H2,1-2H3,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8H,2-5,9H2,1H3,(H,16,17);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;;
InChIKeyFWWSAKLRZAGFIA-GVQGZKJFSA-N
XLogP10.54
TPSA333.54 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001658.08
LogP ≤ 510.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158943468
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 159044041
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-3-amine;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160296578
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[1-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-4-yl]ethanone
CID 161245036
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 161470455
4-(6-chloro-1H-indazol-4-yl)piperidine-1-carboxamide;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methylpropan-1-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(oxan-4-yl)-1H-indazole
CID 157089474
6-chloro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157092304
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
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;1-[2-(6-chloro-1H-indazol-4-yl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanesulfonamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]morpholine
CID 157104194
6-chloro-4-cyclohexyl-1H-indazole;1-[8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;1-[9-(6-chloro-1H-indazol-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;3-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;6-chloro-4-(2-methylsulfonyl-2,7-diazaspiro[3.5]nonan-7-yl)-1H-indazole
CID 157240168
6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indazole;2-[(6-chloro-1H-indazol-4-yl)amino]ethanol;8-(6-chloro-1H-indazol-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;6-chloro-4-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole
CID 157306803
6-chloro-4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-sulfonamide;4-(6-chloro-1H-indazol-4-yl)piperidine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 157333156

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone (CID 158166355) is 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone is CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CC(C)(O)C(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.COCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is FWWSAKLRZAGFIA-GVQGZKJFSA-N. The full InChI is InChI=1S/C19H20ClN3O2S.C15H19ClN4O2.C15H19ClN4O.C14H17ClN4O2.C12H16ClN5O2S/c20-16-10-17(18-12-21-22-19(18)11-16)15-6-8-23(9-7-15)26(24,25)13-14-4-2-1-3-5-14;1-15(2,22)14(21)20-5-3-19(4-6-20)13-8-10(16)7-12-11(13)9-17-18-12;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-21-9-14(20)19-4-2-18(3-5-19)13-7-10(15)6-12-11(13)8-16-17-12;1-14-21(19,20)18-4-2-17(3-5-18)12-7-9(13)6-11-10(12)8-15-16-11/h1-5,10-12,15H,6-9,13H2,(H,21,22);7-9,22H,3-6H2,1-2H3,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8H,2-5,9H2,1H3,(H,16,17);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;;.
What are the key properties of 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone?
4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 1658.08 g/mol, XLogP of 10.54, 13 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indazole;1-[(2R,6S)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one;1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 158166355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).