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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone

C61H72Cl4N16O7S2 — CID 161389884

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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone
SMILESCC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C15H17ClN4O2.C15H19ClN4O.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;16-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)15(22)1-2-15;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-14-21(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,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;
InChIKeyVSVRPVGCYRWYFX-BWWQLXOPSA-N
MW1347.30 g/mol
LogP8.78
Rot. Bonds10

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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone

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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone (PubChem CID 161389884) has the molecular formula C61H72Cl4N16O7S2 and a molecular weight of 1347.30 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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone.

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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone
PubChem CID161389884
Molecular FormulaC61H72Cl4N16O7S2
Molecular Weight1347.30 g/mol
Exact Mass1344.40
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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone
SMILESCC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)CC1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C19H20ClN3O2S.C15H17ClN4O2.C15H19ClN4O.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;16-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)15(22)1-2-15;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-14-21(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,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8,14H,2-5H2,1H3,(H,15,16)/t;;9-,10+;
InChIKeyVSVRPVGCYRWYFX-BWWQLXOPSA-N
XLogP8.78
TPSA272.08 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001347.30
LogP ≤ 58.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone with MolForge

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Related Compounds

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 157897359
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 158050837
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
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-3-carboxamide;N-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]acetamide;4-[(2S)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-(trifluoromethyl)-1H-indazole
CID 159480763
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 160274559
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-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 160327583
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;8-[6-(trifluoromethyl)-1H-indazol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 160631270
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-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 157055211

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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone?
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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone (CID 161389884) 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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone.
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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone?
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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone is CC(=O)N1[C@H](C)CN(c2cc(Cl)cc3[nH]ncc23)C[C@@H]1C.CNS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=C(N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1)C1(O)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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone?
The InChIKey is VSVRPVGCYRWYFX-BWWQLXOPSA-N. The full InChI is InChI=1S/C19H20ClN3O2S.C15H17ClN4O2.C15H19ClN4O.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;16-10-7-12-11(9-17-18-12)13(8-10)19-3-5-20(6-4-19)14(21)15(22)1-2-15;1-9-7-19(8-10(2)20(9)11(3)21)15-5-12(16)4-14-13(15)6-17-18-14;1-14-21(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,1-6H2,(H,17,18);4-6,9-10H,7-8H2,1-3H3,(H,17,18);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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone?
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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone has a molecular weight of 1347.30 g/mol, XLogP of 8.78, 10 rotatable bonds, 6 hydrogen bond donors, and 14 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;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone is sourced from PubChem (CID 161389884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).