2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C17H17F3N6 — CID 154830033

IUPAC2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)14-9-16(22-12-21-14)25-7-5-24(6-8-25)10-13-11-26-4-2-1-3-15(26)23-13/h1-4,9,11-12H,5-8,10H2
InChIKeyOQHGAAKMXZTYKM-UHFFFAOYSA-N
MW362.36 g/mol
LogP2.47
Rot. Bonds3

About 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 154830033) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID154830033
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)14-9-16(22-12-21-14)25-7-5-24(6-8-25)10-13-11-26-4-2-1-3-15(26)23-13/h1-4,9,11-12H,5-8,10H2
InChIKeyOQHGAAKMXZTYKM-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

Analyze 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine 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 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 154830033) is 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is FC(F)(F)c1cc(N2CCN(Cc3cn4ccccc4n3)CC2)ncn1.
What is the InChIKey of 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is OQHGAAKMXZTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)14-9-16(22-12-21-14)25-7-5-24(6-8-25)10-13-11-26-4-2-1-3-15(26)23-13/h1-4,9,11-12H,5-8,10H2.
What are the key properties of 2-[[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[4-[6-(trifluoromethyl)pyrimidin-4-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-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 154830033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).