6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C60H77Cl2FN14O6S2 — CID 158997921

About 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 158997921) has the molecular formula C60H77Cl2FN14O6S2 and a molecular weight of 1244.41 g/mol. Its IUPAC name is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• PubChem CID: 158997921
• Molecular Formula: C60H77Cl2FN14O6S2
• Molecular Weight: 1244.41 g/mol
• Exact Mass: 1242.50
• IUPAC Name: 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ncc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
• InChI: InChI=1S/C18H24N4O.C17H24N4O2S.C13H15ClFN3O2S.C12H14ClN3O/c1-12(23)22-7-6-21(11-18(22,2)3)17-9-14(13-4-5-13)8-16-15(17)10-19-20-16;1-17(2)11-20(6-7-21(17)24(3,22)23)16-9-13(12-4-5-12)8-15-14(16)10-18-19-15;1-21(19,20)18-4-2-13(15,3-5-18)11-6-9(14)7-12-10(11)8-16-17-12;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16/h8-10,13H,4-7,11H2,1-3H3,(H,19,20);8-10,12H,4-7,11H2,1-3H3,(H,18,19);6-8H,2-5H2,1H3,(H,16,17);4-6,9,17H,1-3,7H2,(H,14,15)
• InChIKey: JQZAXSCNDVOQOR-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 239.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1244.41
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The IUPAC name of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 158997921) is 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

What is the SMILES notation for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The canonical SMILES for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CC3)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C3CC3)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(F)(c2cc(Cl)cc3[nH]ncc23)CC1.OC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.

What is the InChIKey of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

The InChIKey is JQZAXSCNDVOQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.C17H24N4O2S.C13H15ClFN3O2S.C12H14ClN3O/c1-12(23)22-7-6-21(11-18(22,2)3)17-9-14(13-4-5-13)8-16-15(17)10-19-20-16;1-17(2)11-20(6-7-21(17)24(3,22)23)16-9-13(12-4-5-12)8-15-14(16)10-18-19-15;1-21(19,20)18-4-2-13(15,3-5-18)11-6-9(14)7-12-10(11)8-16-17-12;13-8-4-11-10(6-14-15-11)12(5-8)16-3-1-2-9(17)7-16/h8-10,13H,4-7,11H2,1-3H3,(H,19,20);8-10,12H,4-7,11H2,1-3H3,(H,18,19);6-8H,2-5H2,1H3,(H,16,17);4-6,9,17H,1-3,7H2,(H,14,15).

What are the key properties of 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?

6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 1244.41 g/mol, XLogP of 9.80, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopropyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 158997921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).