2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C14H17F3N4 — CID 82096911

IUPAC2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nc2c(N3CCNCC3)cc(C(F)(F)F)cn2c1C
InChIInChI=1S/C14H17F3N4/c1-9-10(2)21-8-11(14(15,16)17)7-12(13(21)19-9)20-5-3-18-4-6-20/h7-8,18H,3-6H2,1-2H3
InChIKeyCTDCQFHYMRRSPE-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.38
Rot. Bonds1

About 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine

2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 82096911) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID82096911
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1nc2c(N3CCNCC3)cc(C(F)(F)F)cn2c1C
InChIInChI=1S/C14H17F3N4/c1-9-10(2)21-8-11(14(15,16)17)7-12(13(21)19-9)20-5-3-18-4-6-20/h7-8,18H,3-6H2,1-2H3
InChIKeyCTDCQFHYMRRSPE-UHFFFAOYSA-N
XLogP2.38
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 130454922
1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
CID 177040771
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[6-(difluoromethyl)-2-methyl-3-pyridinyl]piperazine
CID 175560034
1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
CID 69163017
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 82096911) is 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1nc2c(N3CCNCC3)cc(C(F)(F)F)cn2c1C.
What is the InChIKey of 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is CTDCQFHYMRRSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-9-10(2)21-8-11(14(15,16)17)7-12(13(21)19-9)20-5-3-18-4-6-20/h7-8,18H,3-6H2,1-2H3.
What are the key properties of 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine?
2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 298.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-piperazin-1-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82096911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).