1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone

C19H22FN5O — CID 118060200

IUPAC1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H22FN5O/c1-14(26)24-7-4-23(5-8-24)6-9-25-13-15(11-22-25)18-12-21-19-10-16(20)2-3-17(18)19/h2-3,10-13,21H,4-9H2,1H3
InChIKeyGCAFLSLIRGADDE-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 118060200) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID118060200
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H22FN5O/c1-14(26)24-7-4-23(5-8-24)6-9-25-13-15(11-22-25)18-12-21-19-10-16(20)2-3-17(18)19/h2-3,10-13,21H,4-9H2,1H3
InChIKeyGCAFLSLIRGADDE-UHFFFAOYSA-N
XLogP2.33
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-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

Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)acetamide
CID 699127
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
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
1-[4-(1H-indol-3-yl)piperidino]ethan-1-one
CID 2728359
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
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]propanamide
CID 25025104
N-[2-(2-methyl-8,9-dihydro-7H-cyclopenta[c]pyrazolo[1,5-a]pyridin-9-yl)ethyl]acetamide
CID 59145922
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
2-methyl-3-(pyridin-2-yl(pyrrolidin-1-yl)methyl)-1H-indole
CID 4524982
N-[2-(6-Fluoro-1H-indol-3-yl)-ethyl]-acetamide
CID 10751398

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone (CID 118060200) is 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is GCAFLSLIRGADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-14(26)24-7-4-23(5-8-24)6-9-25-13-15(11-22-25)18-12-21-19-10-16(20)2-3-17(18)19/h2-3,10-13,21H,4-9H2,1H3.
What are the key properties of 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 355.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118060200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).