5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine

C13H9F3N4O — CID 115322381

IUPAC5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(-c3cc(F)cc(F)c3F)c2n1
InChIInChI=1S/C13H9F3N4O/c1-21-10-3-2-8-12(19-10)20(13(17)18-8)9-5-6(14)4-7(15)11(9)16/h2-5H,1H3,(H2,17,18)
InChIKeyJNIPGPWPPPGVAW-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.43
Rot. Bonds2

About 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine

5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 115322381) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID115322381
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(-c3cc(F)cc(F)c3F)c2n1
InChIInChI=1S/C13H9F3N4O/c1-21-10-3-2-8-12(19-10)20(13(17)18-8)9-5-6(14)4-7(15)11(9)16/h2-5H,1H3,(H2,17,18)
InChIKeyJNIPGPWPPPGVAW-UHFFFAOYSA-N
XLogP2.43
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 107637413
3-(5-chloro-2-methoxyphenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322136
6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
CID 115470604
3-(2-ethoxyphenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322193
5-methoxy-3-(2-propylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 115322301
3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322726
3-(3-fluoro-4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138847
5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356
2,5-dimethyl-1-(2,3,5-trifluorophenyl)pyrrole
CID 55211317
3-(2,5-dimethoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81141726
3-(1-ethoxypropan-2-yl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322330
5-methoxy-3-(2,4,6-trifluorophenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321991

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine (CID 115322381) is 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine is COc1ccc2nc(N)n(-c3cc(F)cc(F)c3F)c2n1.
What is the InChIKey of 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is JNIPGPWPPPGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c1-21-10-3-2-8-12(19-10)20(13(17)18-8)9-5-6(14)4-7(15)11(9)16/h2-5H,1H3,(H2,17,18).
What are the key properties of 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine?
5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 294.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 115322381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).