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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone

C62H76Cl4N16O7S2 — CID 158059078

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone (PubChem CID 158059078) has the molecular formula C62H76Cl4N16O7S2 and a molecular weight of 1363.34 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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone.

Molecular Properties

• Compound Name: 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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone
• PubChem CID: 158059078
• Molecular Formula: C62H76Cl4N16O7S2
• Molecular Weight: 1363.34 g/mol
• Exact Mass: 1360.43
• IUPAC Name: 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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone
• SMILES: CC(=O)C1(O)CC1.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.Clc1cc(N2CCNCC2)c2cn[nH]c2c1.O=S(=O)(Cc1ccccc1)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C19H20ClN3O2S.C15H19ClN4O.C12H16ClN5O2S.C11H13ClN4.C5H8O2/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;1-9-7-19(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;12-8-5-10-9(7-14-15-10)11(6-8)16-3-1-13-2-4-16;1-4(6)5(7)2-3-5/h1-5,10-12,15H,6-9,13H2,(H,21,22);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8,14H,2-5H2,1H3,(H,15,16);5-7,13H,1-4H2,(H,14,15);7H,2-3H2,1H3/t;9-,10+
• InChIKey: FKKQPLQPRBWXQN-GBVANTOISA-N
• XLogP: 9.12
• TPSA: 280.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1363.34
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone?

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone (CID 158059078) 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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone.

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone?

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone is CC(=O)C1(O)CC1.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.Clc1cc(N2CCNCC2)c2cn[nH]c2c1.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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone?

The InChIKey is FKKQPLQPRBWXQN-GBVANTOISA-N. The full InChI is InChI=1S/C19H20ClN3O2S.C15H19ClN4O.C12H16ClN5O2S.C11H13ClN4.C5H8O2/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;1-9-7-19(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;12-8-5-10-9(7-14-15-10)11(6-8)16-3-1-13-2-4-16;1-4(6)5(7)2-3-5/h1-5,10-12,15H,6-9,13H2,(H,21,22);4-6,9-10H,7-8H2,1-3H3,(H,17,18);6-8,14H,2-5H2,1H3,(H,15,16);5-7,13H,1-4H2,(H,14,15);7H,2-3H2,1H3/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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone?

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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone has a molecular weight of 1363.34 g/mol, XLogP of 9.12, 10 rotatable bonds, 7 hydrogen bond donors, and 15 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;6-chloro-4-piperazin-1-yl-1H-indazole;1-(1-hydroxycyclopropyl)ethanone is sourced from PubChem (CID 158059078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).