2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine

C13H9F3N4 — CID 79821392

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)8-3-1-7(2-4-8)11-18-9-5-6-10(17)19-12(9)20-11/h1-6H,(H3,17,18,19,20)
InChIKeyPNGDJBFSFWWSIW-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.23
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821392) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821392
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)8-3-1-7(2-4-8)11-18-9-5-6-10(17)19-12(9)20-11/h1-6H,(H3,17,18,19,20)
InChIKeyPNGDJBFSFWWSIW-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821392) is 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2n1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is PNGDJBFSFWWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)8-3-1-7(2-4-8)11-18-9-5-6-10(17)19-12(9)20-11/h1-6H,(H3,17,18,19,20).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 278.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).