2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde

C15H18F3N5O — CID 118172898

IUPAC2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde
SMILESNc1ccc2nn(C(C=O)N3CCN(CC(F)(F)F)CC3)cc2c1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)10-21-3-5-22(6-4-21)14(9-24)23-8-11-7-12(19)1-2-13(11)20-23/h1-2,7-9,14H,3-6,10,19H2
InChIKeyIJMALOWIKGSBDZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.50
Rot. Bonds4

About 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde

2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde (PubChem CID 118172898) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde
PubChem CID118172898
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde
SMILESNc1ccc2nn(C(C=O)N3CCN(CC(F)(F)F)CC3)cc2c1
InChIInChI=1S/C15H18F3N5O/c16-15(17,18)10-21-3-5-22(6-4-21)14(9-24)23-8-11-7-12(19)1-2-13(11)20-23/h1-2,7-9,14H,3-6,10,19H2
InChIKeyIJMALOWIKGSBDZ-UHFFFAOYSA-N
XLogP1.50
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde 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

1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
6-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-4-(trifluoromethyl)pyridin-2-ol
CID 163233825
6-(5-(4-(Methylsulfonyl)piperazin-1-yl)-2H-indazol-2-yl)-4-(trifluoromethyl)pyridin-2-ol
CID 163234438
2-(5-(4-(Methylsulfonyl)piperazin-1-yl)-2H-indazol-2-yl)-6-(trifluoromethyl)pyridin-4-ol
CID 163234467
2-[(2-propan-2-ylindazol-5-yl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 72110399
N-(1-methyl-1H-indazol-5-yl)-4-(trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 118773839
1-[[4-[3,5-Bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole
CID 23194164
1-[[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole
CID 23194171
2-(5-Aminoindazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 58778038
2-(3,5-Dimethylpyrazol-1-yl)-2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperazin-1-yl]acetaldehyde
CID 87068205
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-(5-nitroindazol-1-yl)acetaldehyde
CID 87649833
1-[4-[[4-amino-3-(2-benzylindazol-5-yl)-7H-pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 89520894

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde (CID 118172898) is 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde is Nc1ccc2nn(C(C=O)N3CCN(CC(F)(F)F)CC3)cc2c1.
What is the InChIKey of 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde?
The InChIKey is IJMALOWIKGSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c16-15(17,18)10-21-3-5-22(6-4-21)14(9-24)23-8-11-7-12(19)1-2-13(11)20-23/h1-2,7-9,14H,3-6,10,19H2.
What are the key properties of 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde?
2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde has a molecular weight of 341.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindazol-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 118172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).