5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine

C24H24F3N7 — CID 24872598

IUPAC5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(NCc4ccccc4C(F)(F)F)c(N4CCNCC4)n3)cc12
InChIInChI=1S/C24H24F3N7/c1-15-18-12-16(6-7-20(18)33-32-15)21-14-30-22(23(31-21)34-10-8-28-9-11-34)29-13-17-4-2-3-5-19(17)24(25,26)27/h2-7,12,14,28H,8-11,13H2,1H3,(H,29,30)(H,32,33)
InChIKeyGQJCKSRDCVKNEE-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.37
Rot. Bonds5

About 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine

5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine (PubChem CID 24872598) has the molecular formula C24H24F3N7 and a molecular weight of 467.50 g/mol. Its IUPAC name is 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
PubChem CID24872598
Molecular FormulaC24H24F3N7
Molecular Weight467.50 g/mol
Exact Mass467.20
IUPAC Name5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(NCc4ccccc4C(F)(F)F)c(N4CCNCC4)n3)cc12
InChIInChI=1S/C24H24F3N7/c1-15-18-12-16(6-7-20(18)33-32-15)21-14-30-22(23(31-21)34-10-8-28-9-11-34)29-13-17-4-2-3-5-19(17)24(25,26)27/h2-7,12,14,28H,8-11,13H2,1H3,(H,29,30)(H,32,33)
InChIKeyGQJCKSRDCVKNEE-UHFFFAOYSA-N
XLogP4.37
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine 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 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine (CID 24872598) is 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine is Cc1[nH]nc2ccc(-c3cnc(NCc4ccccc4C(F)(F)F)c(N4CCNCC4)n3)cc12.
What is the InChIKey of 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is GQJCKSRDCVKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7/c1-15-18-12-16(6-7-20(18)33-32-15)21-14-30-22(23(31-21)34-10-8-28-9-11-34)29-13-17-4-2-3-5-19(17)24(25,26)27/h2-7,12,14,28H,8-11,13H2,1H3,(H,29,30)(H,32,33).
What are the key properties of 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 467.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 24872598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).