1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

C23H23F3N8O — CID 58532716

IUPAC1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C23H23F3N8O/c1-15-12-19(30-29-15)27-21-18-6-3-7-34(18)31-22(28-21)33-10-8-32(9-11-33)20(35)14-16-4-2-5-17(13-16)23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H2,27,28,29,30,31)
InChIKeyVYUNUXDNCGQSKN-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone

1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 58532716) has the molecular formula C23H23F3N8O and a molecular weight of 484.49 g/mol. Its IUPAC name is 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID58532716
Molecular FormulaC23H23F3N8O
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc(Nc2nc(N3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)CC3)nn3cccc23)n[nH]1
InChIInChI=1S/C23H23F3N8O/c1-15-12-19(30-29-15)27-21-18-6-3-7-34(18)31-22(28-21)33-10-8-32(9-11-33)20(35)14-16-4-2-5-17(13-16)23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H2,27,28,29,30,31)
InChIKeyVYUNUXDNCGQSKN-UHFFFAOYSA-N
XLogP3.41
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone 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-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 58532716) is 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1cc(Nc2nc(N3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)CC3)nn3cccc23)n[nH]1.
What is the InChIKey of 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VYUNUXDNCGQSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O/c1-15-12-19(30-29-15)27-21-18-6-3-7-34(18)31-22(28-21)33-10-8-32(9-11-33)20(35)14-16-4-2-5-17(13-16)23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H2,27,28,29,30,31).
What are the key properties of 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone?
1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 484.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 58532716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).