8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

C44H50ClF6N11O6S — CID 162177669

About 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone

8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 162177669) has the molecular formula C44H50ClF6N11O6S and a molecular weight of 1010.46 g/mol. Its IUPAC name is 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 162177669
• Molecular Formula: C44H50ClF6N11O6S
• Molecular Weight: 1010.46 g/mol
• Exact Mass: 1009.33
• IUPAC Name: 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C16H19ClN4O.C14H15F3N4O2.C14H16F3N3O3S/c1-20-15(22)2-3-16(20)4-6-21(7-5-16)14-9-11(17)8-13-12(14)10-18-19-13;1-9(22)20-2-4-21(5-3-20)13-7-10(23-14(15,16)17)6-12-11(13)8-18-19-12;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h8-10H,2-7H2,1H3,(H,18,19);6-8H,2-5H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,18,19)
• InChIKey: ZOPIYCAKWLTIJA-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 188.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.46
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone (CID 162177669) is 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.CN1C(=O)CCC12CCN(c1cc(Cl)cc3[nH]ncc13)CC2.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.

What is the InChIKey of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The InChIKey is ZOPIYCAKWLTIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O.C14H15F3N4O2.C14H16F3N3O3S/c1-20-15(22)2-3-16(20)4-6-21(7-5-16)14-9-11(17)8-13-12(14)10-18-19-13;1-9(22)20-2-4-21(5-3-20)13-7-10(23-14(15,16)17)6-12-11(13)8-18-19-12;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h8-10H,2-7H2,1H3,(H,18,19);6-8H,2-5H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,18,19).

What are the key properties of 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1010.46 g/mol, XLogP of 7.54, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162177669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).