4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone

C45H52Cl2F3N11O4 — CID 158545799

About 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone

4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 158545799) has the molecular formula C45H52Cl2F3N11O4 and a molecular weight of 938.88 g/mol. Its IUPAC name is 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 158545799
• Molecular Formula: C45H52Cl2F3N11O4
• Molecular Weight: 938.88 g/mol
• Exact Mass: 937.35
• IUPAC Name: 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1
• InChI: InChI=1S/C16H20ClN3O.C15H16F3N3O2.C14H16ClN5O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9(22)21-4-2-10(3-5-21)12-6-11(23-15(16,17)18)7-14-13(12)8-19-20-14;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14/h8-10,12H,2-7H2,1H3,(H,18,19);6-8,10H,2-5H2,1H3,(H,19,20);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21)
• InChIKey: HPCBLPSEMAZTRV-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 180.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.88
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The IUPAC name of 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone (CID 158545799) is 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone is CC(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.O=C1NCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)N1.

What is the InChIKey of 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The InChIKey is HPCBLPSEMAZTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.C15H16F3N3O2.C14H16ClN5O/c1-11(21)2-3-12-4-6-20(7-5-12)16-9-13(17)8-15-14(16)10-18-19-15;1-9(22)21-4-2-10(3-5-21)12-6-11(23-15(16,17)18)7-14-13(12)8-19-20-14;15-9-5-11-10(7-17-19-11)12(6-9)20-3-1-14(2-4-20)8-16-13(21)18-14/h8-10,12H,2-7H2,1H3,(H,18,19);6-8,10H,2-5H2,1H3,(H,19,20);5-7H,1-4,8H2,(H,17,19)(H2,16,18,21).

What are the key properties of 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 938.88 g/mol, XLogP of 8.86, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158545799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).