6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine

C21H23F3N10 — CID 139359074

IUPAC6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CC(C)NC(c3cn[nH]c3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C21H23F3N10/c1-11-9-33(12(2)19(30-11)13-5-28-29-6-13)17-4-16(25-3)31-20(32-17)14-7-27-18-8-26-15(10-34(14)18)21(22,23)24/h4-8,10-12,19,30H,9H2,1-3H3,(H,28,29)(H,25,31,32)
InChIKeyYFSHNVHLUUTELU-UHFFFAOYSA-N
MW472.48 g/mol
LogP2.90
Rot. Bonds4

About 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine

6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine (PubChem CID 139359074) has the molecular formula C21H23F3N10 and a molecular weight of 472.48 g/mol. Its IUPAC name is 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
PubChem CID139359074
Molecular FormulaC21H23F3N10
Molecular Weight472.48 g/mol
Exact Mass472.21
IUPAC Name6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CC(C)NC(c3cn[nH]c3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1
InChIInChI=1S/C21H23F3N10/c1-11-9-33(12(2)19(30-11)13-5-28-29-6-13)17-4-16(25-3)31-20(32-17)14-7-27-18-8-26-15(10-34(14)18)21(22,23)24/h4-8,10-12,19,30H,9H2,1-3H3,(H,28,29)(H,25,31,32)
InChIKeyYFSHNVHLUUTELU-UHFFFAOYSA-N
XLogP2.90
TPSA111.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-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 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine (CID 139359074) is 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine is CNc1cc(N2CC(C)NC(c3cn[nH]c3)C2C)nc(-c2cnc3cnc(C(F)(F)F)cn23)n1.
What is the InChIKey of 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine?
The InChIKey is YFSHNVHLUUTELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N10/c1-11-9-33(12(2)19(30-11)13-5-28-29-6-13)17-4-16(25-3)31-20(32-17)14-7-27-18-8-26-15(10-34(14)18)21(22,23)24/h4-8,10-12,19,30H,9H2,1-3H3,(H,28,29)(H,25,31,32).
What are the key properties of 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine?
6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine has a molecular weight of 472.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]-N-methyl-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 139359074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).