3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C21H25F3N6O — CID 139344692

IUPAC3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOCCN1C(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C
InChIInChI=1S/C21H25F3N6O/c1-14-11-28(12-15(2)29(14)8-9-31-3)19-6-7-25-20(27-19)17-10-26-18-5-4-16(13-30(17)18)21(22,23)24/h4-7,10,13-15H,8-9,11-12H2,1-3H3
InChIKeySGDOYBFIQQYFGW-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.36
Rot. Bonds5

About 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344692) has the molecular formula C21H25F3N6O and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344692
Molecular FormulaC21H25F3N6O
Molecular Weight434.47 g/mol
Exact Mass434.20
IUPAC Name3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCOCCN1C(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C
InChIInChI=1S/C21H25F3N6O/c1-14-11-28(12-15(2)29(14)8-9-31-3)19-6-7-25-20(27-19)17-10-26-18-5-4-16(13-30(17)18)21(22,23)24/h4-7,10,13-15H,8-9,11-12H2,1-3H3
InChIKeySGDOYBFIQQYFGW-UHFFFAOYSA-N
XLogP3.36
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)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 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344692) is 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is COCCN1C(C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C.
What is the InChIKey of 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is SGDOYBFIQQYFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O/c1-14-11-28(12-15(2)29(14)8-9-31-3)19-6-7-25-20(27-19)17-10-26-18-5-4-16(13-30(17)18)21(22,23)24/h4-7,10,13-15H,8-9,11-12H2,1-3H3.
What are the key properties of 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 434.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).