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

C23H23FN4O — CID 118382322

IUPAC1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1
InChIInChI=1S/C23H23FN4O/c1-15(29)27-8-6-16(7-9-27)14-28-23-5-2-17(10-18(23)12-26-28)21-13-25-22-11-19(24)3-4-20(21)22/h2-5,10-13,16,25H,6-9,14H2,1H3
InChIKeyLEIUHDNUDYHYIY-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.58
Rot. Bonds3

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

1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 118382322) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID118382322
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1
InChIInChI=1S/C23H23FN4O/c1-15(29)27-8-6-16(7-9-27)14-28-23-5-2-17(10-18(23)12-26-28)21-13-25-22-11-19(24)3-4-20(21)22/h2-5,10-13,16,25H,6-9,14H2,1H3
InChIKeyLEIUHDNUDYHYIY-UHFFFAOYSA-N
XLogP4.58
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 118382322) is 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cn2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1.
What is the InChIKey of 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LEIUHDNUDYHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15(29)27-8-6-16(7-9-27)14-28-23-5-2-17(10-18(23)12-26-28)21-13-25-22-11-19(24)3-4-20(21)22/h2-5,10-13,16,25H,6-9,14H2,1H3.
What are the key properties of 1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 390.46 g/mol, XLogP of 4.58, 3 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]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118382322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).