1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole

C17H11ClF3N3 — CID 24979621

IUPAC1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESFC(F)(F)c1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF3N3/c18-12-4-1-10(2-5-12)15-16-13-6-3-11(17(19,20)21)9-14(13)23-24(16)8-7-22-15/h1-6,9H,7-8H2
InChIKeyJBUDYGSDAFNGIH-UHFFFAOYSA-N
MW349.74 g/mol
LogP4.56
Rot. Bonds1

About 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole

1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole (PubChem CID 24979621) has the molecular formula C17H11ClF3N3 and a molecular weight of 349.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole
PubChem CID24979621
Molecular FormulaC17H11ClF3N3
Molecular Weight349.74 g/mol
Exact Mass349.06
IUPAC Name1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole
SMILESFC(F)(F)c1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF3N3/c18-12-4-1-10(2-5-12)15-16-13-6-3-11(17(19,20)21)9-14(13)23-24(16)8-7-22-15/h1-6,9H,7-8H2
InChIKeyJBUDYGSDAFNGIH-UHFFFAOYSA-N
XLogP4.56
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
The IUPAC name of 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole (CID 24979621) is 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole.
What is the SMILES notation for 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
The canonical SMILES for 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole is FC(F)(F)c1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
The InChIKey is JBUDYGSDAFNGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3/c18-12-4-1-10(2-5-12)15-16-13-6-3-11(17(19,20)21)9-14(13)23-24(16)8-7-22-15/h1-6,9H,7-8H2.
What are the key properties of 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole?
1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole has a molecular weight of 349.74 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazole is sourced from PubChem (CID 24979621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).