2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline

C17H11Cl2F3N4 — CID 24979711

IUPAC2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline
SMILESNc1c(Cl)cc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1Cl
InChIInChI=1S/C17H11Cl2F3N4/c18-11-5-8(6-12(19)14(11)23)15-16-10-2-1-9(17(20,21)22)7-13(10)25-26(16)4-3-24-15/h1-2,5-7H,3-4,23H2
InChIKeyHOQYGFFOKCYUIZ-UHFFFAOYSA-N
MW399.20 g/mol
LogP4.80
Rot. Bonds1

About 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline

2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline (PubChem CID 24979711) has the molecular formula C17H11Cl2F3N4 and a molecular weight of 399.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline
PubChem CID24979711
Molecular FormulaC17H11Cl2F3N4
Molecular Weight399.20 g/mol
Exact Mass398.03
IUPAC Name2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline
SMILESNc1c(Cl)cc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1Cl
InChIInChI=1S/C17H11Cl2F3N4/c18-11-5-8(6-12(19)14(11)23)15-16-10-2-1-9(17(20,21)22)7-13(10)25-26(16)4-3-24-15/h1-2,5-7H,3-4,23H2
InChIKeyHOQYGFFOKCYUIZ-UHFFFAOYSA-N
XLogP4.80
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline 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

2,6-Dichloro-4-(9-oxy-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 24979613
2,6-Bis(chloranyl)-4-(8-nitro-6-oxidanidyl-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl)aniline
CID 24979714
4-(4-Chloro-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24979722
2,6-Dichloro-4-(9-oxy-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 24979730
4-p-Tolyl-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161740
2,6-Dichloro-4-(3,4-dihydropyrazino[1,2-b]indazol-1-yl)aniline
CID 24979614
4-(4-Chloro-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24979621
4-(4-Chloro-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24982222
2,6-Dichloro-4-(7-nitro-1,2-dihydro-3,9,9a-triaza-fluoren-4-yl)-phenylamine
CID 25162961
2-(3-Chlorobenzyl)-3-(4-methylphenyl)-2H-indazole
CID 11702722
1-(4-Chlorophenyl)-4-methyl-6-oxido-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-6-ium
CID 71729802
2,6-Dichloro-4-[4-methyl-6-oxido-8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-6-ium-1-yl]aniline
CID 71729804

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline?
The IUPAC name of 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline (CID 24979711) is 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline?
The canonical SMILES for 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline is Nc1c(Cl)cc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline?
The InChIKey is HOQYGFFOKCYUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N4/c18-11-5-8(6-12(19)14(11)23)15-16-10-2-1-9(17(20,21)22)7-13(10)25-26(16)4-3-24-15/h1-2,5-7H,3-4,23H2.
What are the key properties of 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline?
2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline has a molecular weight of 399.20 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[8-(trifluoromethyl)-3,4-dihydropyrazino[1,2-b]indazol-1-yl]aniline is sourced from PubChem (CID 24979711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).