N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine

C15H16F3N3 — CID 164558188

IUPACN-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
SMILESCC1=CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C15H16F3N3/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-20-12(9-21(13)14)15(16,17)18/h2-5,9,11,19H,6-8H2,1H3
InChIKeySNFYKKKZBODTMR-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.26
Rot. Bonds2

About N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine

N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 164558188) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
PubChem CID164558188
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
SMILESCC1=CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C15H16F3N3/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-20-12(9-21(13)14)15(16,17)18/h2-5,9,11,19H,6-8H2,1H3
InChIKeySNFYKKKZBODTMR-UHFFFAOYSA-N
XLogP4.26
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine (CID 164558188) is N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine is CC1=CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.
What is the InChIKey of N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is SNFYKKKZBODTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-20-12(9-21(13)14)15(16,17)18/h2-5,9,11,19H,6-8H2,1H3.
What are the key properties of N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine has a molecular weight of 295.31 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohex-3-en-1-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 164558188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).