1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C24H22FN5O2 — CID 55809909

IUPAC1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1
InChIInChI=1S/C24H22FN5O2/c25-19-6-2-4-8-22(19)30-10-9-21(27-30)24(32)29-13-11-28(12-14-29)23(31)15-17-16-26-20-7-3-1-5-18(17)20/h1-10,16,26H,11-15H2
InChIKeyKPJQCBGKTXZOPJ-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.02
Rot. Bonds4

About 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 55809909) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID55809909
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1
InChIInChI=1S/C24H22FN5O2/c25-19-6-2-4-8-22(19)30-10-9-21(27-30)24(32)29-13-11-28(12-14-29)23(31)15-17-16-26-20-7-3-1-5-18(17)20/h1-10,16,26H,11-15H2
InChIKeyKPJQCBGKTXZOPJ-UHFFFAOYSA-N
XLogP3.02
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124589136
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
(3-fluoro-4-methylphenyl)-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 55879541
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 55809909) is 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1.
What is the InChIKey of 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is KPJQCBGKTXZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-6-2-4-8-22(19)30-10-9-21(27-30)24(32)29-13-11-28(12-14-29)23(31)15-17-16-26-20-7-3-1-5-18(17)20/h1-10,16,26H,11-15H2.
What are the key properties of 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 431.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 55809909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).