4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine

C15H12F3N3 — CID 143205885

IUPAC4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine
SMILESNC1=CC=C(c2c(C(F)(F)F)nc3ccccn23)C=CC1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)14-13(10-4-3-5-11(19)8-7-10)21-9-2-1-6-12(21)20-14/h1-4,6-9H,5,19H2
InChIKeyKQYHBBXHDDJESI-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.54
Rot. Bonds1

About 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine

4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 143205885) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine
PubChem CID143205885
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine
SMILESNC1=CC=C(c2c(C(F)(F)F)nc3ccccn23)C=CC1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)14-13(10-4-3-5-11(19)8-7-10)21-9-2-1-6-12(21)20-14/h1-4,6-9H,5,19H2
InChIKeyKQYHBBXHDDJESI-UHFFFAOYSA-N
XLogP3.54
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine (CID 143205885) is 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine is NC1=CC=C(c2c(C(F)(F)F)nc3ccccn23)C=CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is KQYHBBXHDDJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-15(17,18)14-13(10-4-3-5-11(19)8-7-10)21-9-2-1-6-12(21)20-14/h1-4,6-9H,5,19H2.
What are the key properties of 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine?
4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 291.28 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143205885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).