2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C17H17F3N6 — CID 55544599

IUPAC2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccnc(N2CCN(Cc3cn4ccccc4n3)CC2)n1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)14-4-5-21-16(23-14)25-9-7-24(8-10-25)11-13-12-26-6-2-1-3-15(26)22-13/h1-6,12H,7-11H2
InChIKeyVIBGUMUOQWTPMQ-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.47
Rot. Bonds3

About 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 55544599) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID55544599
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccnc(N2CCN(Cc3cn4ccccc4n3)CC2)n1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)14-4-5-21-16(23-14)25-9-7-24(8-10-25)11-13-12-26-6-2-1-3-15(26)22-13/h1-6,12H,7-11H2
InChIKeyVIBGUMUOQWTPMQ-UHFFFAOYSA-N
XLogP2.47
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 55544599) is 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is FC(F)(F)c1ccnc(N2CCN(Cc3cn4ccccc4n3)CC2)n1.
What is the InChIKey of 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is VIBGUMUOQWTPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)14-4-5-21-16(23-14)25-9-7-24(8-10-25)11-13-12-26-6-2-1-3-15(26)22-13/h1-6,12H,7-11H2.
What are the key properties of 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 362.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 55544599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).