2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine

C17H17F3N6 — CID 176905955

IUPAC2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine
SMILESCc1cn2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)ncc2n1
InChIInChI=1S/C17H17F3N6/c1-11-9-26-10-14(22-8-15(26)24-11)12-6-13(17(18,19)20)16(23-7-12)25-4-2-21-3-5-25/h6-10,21H,2-5H2,1H3
InChIKeyYOOPDEYGMOGBNO-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine

2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine (PubChem CID 176905955) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine
PubChem CID176905955
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine
SMILESCc1cn2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)ncc2n1
InChIInChI=1S/C17H17F3N6/c1-11-9-26-10-14(22-8-15(26)24-11)12-6-13(17(18,19)20)16(23-7-12)25-4-2-21-3-5-25/h6-10,21H,2-5H2,1H3
InChIKeyYOOPDEYGMOGBNO-UHFFFAOYSA-N
XLogP2.53
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine (CID 176905955) is 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine is Cc1cn2cc(-c3cnc(N4CCNCC4)c(C(F)(F)F)c3)ncc2n1.
What is the InChIKey of 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
The InChIKey is YOOPDEYGMOGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-11-9-26-10-14(22-8-15(26)24-11)12-6-13(17(18,19)20)16(23-7-12)25-4-2-21-3-5-25/h6-10,21H,2-5H2,1H3.
What are the key properties of 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine?
2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine has a molecular weight of 362.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-piperazin-1-yl-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 176905955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).