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

C22H21FN4O — CID 118382434

IUPAC1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3ccc(-c4c[nH]c5cc(F)ccc45)cc32)CC1
InChIInChI=1S/C22H21FN4O/c1-14(28)26-8-6-18(7-9-26)27-22-10-15(2-3-16(22)12-25-27)20-13-24-21-11-17(23)4-5-19(20)21/h2-5,10-13,18,24H,6-9H2,1H3
InChIKeyJGOJWQIZUPYXLD-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.51
Rot. Bonds2

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

1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 118382434) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone
PubChem CID118382434
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3ccc(-c4c[nH]c5cc(F)ccc45)cc32)CC1
InChIInChI=1S/C22H21FN4O/c1-14(28)26-8-6-18(7-9-26)27-22-10-15(2-3-16(22)12-25-27)20-13-24-21-11-17(23)4-5-19(20)21/h2-5,10-13,18,24H,6-9H2,1H3
InChIKeyJGOJWQIZUPYXLD-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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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
(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-[1-(1H-indol-3-yl)-6-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 46906358
6-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 155510526
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone (CID 118382434) is 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2ncc3ccc(-c4c[nH]c5cc(F)ccc45)cc32)CC1.
What is the InChIKey of 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JGOJWQIZUPYXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14(28)26-8-6-18(7-9-26)27-22-10-15(2-3-16(22)12-25-27)20-13-24-21-11-17(23)4-5-19(20)21/h2-5,10-13,18,24H,6-9H2,1H3.
What are the key properties of 1-[4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[6-(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-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118382434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).