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

C21H21F3N8 — CID 139357081

IUPAC3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1
InChIInChI=1S/C21H21F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)20-25-6-5-16(30-20)17-9-26-18-4-3-15(11-32(17)18)21(22,23)24/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28)
InChIKeyMOPUTNJIVCHREJ-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.46
Rot. Bonds3

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

3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139357081) has the molecular formula C21H21F3N8 and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139357081
Molecular FormulaC21H21F3N8
Molecular Weight442.45 g/mol
Exact Mass442.18
IUPAC Name3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1
InChIInChI=1S/C21H21F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)20-25-6-5-16(30-20)17-9-26-18-4-3-15(11-32(17)18)21(22,23)24/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28)
InChIKeyMOPUTNJIVCHREJ-UHFFFAOYSA-N
XLogP3.46
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139357081) is 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1CN(c2nccc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C(C)C(c2cn[nH]c2)N1.
What is the InChIKey of 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is MOPUTNJIVCHREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8/c1-12-10-31(13(2)19(29-12)14-7-27-28-8-14)20-25-6-5-16(30-20)17-9-26-18-4-3-15(11-32(17)18)21(22,23)24/h3-9,11-13,19,29H,10H2,1-2H3,(H,27,28).
What are the key properties of 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 442.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139357081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).