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

C18H19F3N6 — CID 139344644

IUPAC3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(C)N1
InChIInChI=1S/C18H19F3N6/c1-11-8-26(9-12(2)24-11)16-5-6-22-17(25-16)14-7-23-15-4-3-13(10-27(14)15)18(19,20)21/h3-7,10-12,24H,8-9H2,1-2H3
InChIKeyDKFXVSAKTVXPLO-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.00
Rot. Bonds2

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

3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139344644) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139344644
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(C)N1
InChIInChI=1S/C18H19F3N6/c1-11-8-26(9-12(2)24-11)16-5-6-22-17(25-16)14-7-23-15-4-3-13(10-27(14)15)18(19,20)21/h3-7,10-12,24H,8-9H2,1-2H3
InChIKeyDKFXVSAKTVXPLO-UHFFFAOYSA-N
XLogP3.00
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139344644) is 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(C)N1.
What is the InChIKey of 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is DKFXVSAKTVXPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-11-8-26(9-12(2)24-11)16-5-6-22-17(25-16)14-7-23-15-4-3-13(10-27(14)15)18(19,20)21/h3-7,10-12,24H,8-9H2,1-2H3.
What are the key properties of 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 376.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).