8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

C16H16F3N7 — CID 166605051

IUPAC8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1ccnc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)n1
InChIInChI=1S/C16H16F3N7/c1-11-2-3-21-15(22-11)25-8-6-24(7-9-25)13-14-23-12(16(17,18)19)10-26(14)5-4-20-13/h2-5,10H,6-9H2,1H3
InChIKeyAJYYLRFFOANBSA-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.17
Rot. Bonds2

About 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 166605051) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID166605051
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1ccnc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)n1
InChIInChI=1S/C16H16F3N7/c1-11-2-3-21-15(22-11)25-8-6-24(7-9-25)13-14-23-12(16(17,18)19)10-26(14)5-4-20-13/h2-5,10H,6-9H2,1H3
InChIKeyAJYYLRFFOANBSA-UHFFFAOYSA-N
XLogP2.17
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(4-Pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine
CID 44415514
2-N-(4-methylpyrimidin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162658372
9H-Purine, 9-methyl-2-(4-(2-pyrimidinyl)-1-piperazinyl)-
CID 212786
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
2-(2-Methylpropyl)-6-(3-methylpyrazin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56759687
4-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 56906811
2-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-(trifluoromethyl)pyrimidine
CID 72871667
5-(1-Pyrazin-2-ylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 95829049
7-(Trifluoromethyl)imidazo(1,2-a)pyrimidine
CID 11263920
4-[7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]morpholine
CID 134848884
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 56788733
N,2,5-trimethyl-N-(2-pyrazinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56913065

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 166605051) is 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1ccnc(N2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)n1.
What is the InChIKey of 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is AJYYLRFFOANBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c1-11-2-3-21-15(22-11)25-8-6-24(7-9-25)13-14-23-12(16(17,18)19)10-26(14)5-4-20-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 363.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 166605051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).