5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine

C15H14F3N3 — CID 123234225

IUPAC5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine
SMILESCc1cccc2nc(N)c(C3C=CC=C(C(F)(F)F)C3)n12
InChIInChI=1S/C15H14F3N3/c1-9-4-2-7-12-20-14(19)13(21(9)12)10-5-3-6-11(8-10)15(16,17)18/h2-7,10H,8,19H2,1H3
InChIKeyPORRMGVDDWBNTB-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.76
Rot. Bonds1

About 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine

5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 123234225) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine
PubChem CID123234225
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine
SMILESCc1cccc2nc(N)c(C3C=CC=C(C(F)(F)F)C3)n12
InChIInChI=1S/C15H14F3N3/c1-9-4-2-7-12-20-14(19)13(21(9)12)10-5-3-6-11(8-10)15(16,17)18/h2-7,10H,8,19H2,1H3
InChIKeyPORRMGVDDWBNTB-UHFFFAOYSA-N
XLogP3.76
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine (CID 123234225) is 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine is Cc1cccc2nc(N)c(C3C=CC=C(C(F)(F)F)C3)n12.
What is the InChIKey of 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is PORRMGVDDWBNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-9-4-2-7-12-20-14(19)13(21(9)12)10-5-3-6-11(8-10)15(16,17)18/h2-7,10H,8,19H2,1H3.
What are the key properties of 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine?
5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 293.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 123234225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).