1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone

C22H21FN4O — CID 118382303

IUPAC1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1
InChIInChI=1S/C22H21FN4O/c1-14(28)26-8-6-18(7-9-26)27-22-5-2-15(10-16(22)12-25-27)20-13-24-21-11-17(23)3-4-19(20)21/h2-5,10-13,18,24H,6-9H2,1H3
InChIKeyIGFIKFOYZLGWCU-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.51
Rot. Bonds2

About 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone

1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 118382303) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone
PubChem CID118382303
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1
InChIInChI=1S/C22H21FN4O/c1-14(28)26-8-6-18(7-9-26)27-22-5-2-15(10-16(22)12-25-27)20-13-24-21-11-17(23)3-4-19(20)21/h2-5,10-13,18,24H,6-9H2,1H3
InChIKeyIGFIKFOYZLGWCU-UHFFFAOYSA-N
XLogP4.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone (CID 118382303) is 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1.
What is the InChIKey of 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is IGFIKFOYZLGWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14(28)26-8-6-18(7-9-26)27-22-5-2-15(10-16(22)12-25-27)20-13-24-21-11-17(23)3-4-19(20)21/h2-5,10-13,18,24H,6-9H2,1H3.
What are the key properties of 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 376.44 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118382303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).