2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C19H20FN5O — CID 58778038

IUPAC2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESNc1ccc2c(cnn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FN5O/c20-15-1-4-17(5-2-15)23-7-9-24(10-8-23)19(26)13-25-18-6-3-16(21)11-14(18)12-22-25/h1-6,11-12H,7-10,13,21H2
InChIKeyIUVOGFQQSLDSQZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.11
Rot. Bonds3

About 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 58778038) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID58778038
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESNc1ccc2c(cnn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H20FN5O/c20-15-1-4-17(5-2-15)23-7-9-24(10-8-23)19(26)13-25-18-6-3-16(21)11-14(18)12-22-25/h1-6,11-12H,7-10,13,21H2
InChIKeyIUVOGFQQSLDSQZ-UHFFFAOYSA-N
XLogP2.11
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 58778038) is 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is Nc1ccc2c(cnn2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is IUVOGFQQSLDSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-15-1-4-17(5-2-15)23-7-9-24(10-8-23)19(26)13-25-18-6-3-16(21)11-14(18)12-22-25/h1-6,11-12H,7-10,13,21H2.
What are the key properties of 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 353.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 58778038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).