1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone

C23H23FN4O — CID 118382804

IUPAC1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2cc3ccc(-c4c[nH]c5cc(F)ccc45)cc3n2)CC1
InChIInChI=1S/C23H23FN4O/c1-15(29)27-8-6-16(7-9-27)13-28-14-18-3-2-17(10-22(18)26-28)21-12-25-23-11-19(24)4-5-20(21)23/h2-5,10-12,14,16,25H,6-9,13H2,1H3
InChIKeyLPPYYGMYOUQURY-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.58
Rot. Bonds3

About 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 118382804) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID118382804
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2cc3ccc(-c4c[nH]c5cc(F)ccc45)cc3n2)CC1
InChIInChI=1S/C23H23FN4O/c1-15(29)27-8-6-16(7-9-27)13-28-14-18-3-2-17(10-22(18)26-28)21-12-25-23-11-19(24)4-5-20(21)23/h2-5,10-12,14,16,25H,6-9,13H2,1H3
InChIKeyLPPYYGMYOUQURY-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-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
3-{5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl}-1H-indazole-6-carbonitrile
CID 135468068
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
1-(2-{4-[1-(4-Fluoro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11742887
(2'S,3R)-2'-[3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486217
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 132942960
(E)-N-[7-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]heptyl]-3-pyridin-3-ylprop-2-enamide
CID 145100143
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone (CID 118382804) is 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cn2cc3ccc(-c4c[nH]c5cc(F)ccc45)cc3n2)CC1.
What is the InChIKey of 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LPPYYGMYOUQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-15(29)27-8-6-16(7-9-27)13-28-14-18-3-2-17(10-22(18)26-28)21-12-25-23-11-19(24)4-5-20(21)23/h2-5,10-12,14,16,25H,6-9,13H2,1H3.
What are the key properties of 1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-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-[[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118382804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).