3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine

C13H11FN4 — CID 79289581

IUPAC3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1cccc(F)c1
InChIInChI=1S/C13H11FN4/c14-10-4-1-3-9(7-10)8-18-12-11(17-13(18)15)5-2-6-16-12/h1-7H,8H2,(H2,15,17)
InChIKeyVSWKXVJUQAZOAB-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.20
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine

3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289581) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79289581
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1Cc1cccc(F)c1
InChIInChI=1S/C13H11FN4/c14-10-4-1-3-9(7-10)8-18-12-11(17-13(18)15)5-2-6-16-12/h1-7H,8H2,(H2,15,17)
InChIKeyVSWKXVJUQAZOAB-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 79289581) is 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is VSWKXVJUQAZOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c14-10-4-1-3-9(7-10)8-18-12-11(17-13(18)15)5-2-6-16-12/h1-7H,8H2,(H2,15,17).
What are the key properties of 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 242.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).