(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine

C13H12N4 — CID 82512850

IUPAC(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
SMILESNCc1cccc(-n2cnc3cccnc32)c1
InChIInChI=1S/C13H12N4/c14-8-10-3-1-4-11(7-10)17-9-16-12-5-2-6-15-13(12)17/h1-7,9H,8,14H2
InChIKeyCBFOKHZDZJKYIO-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.88
Rot. Bonds2

About (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine

(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine (PubChem CID 82512850) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
PubChem CID82512850
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
SMILESNCc1cccc(-n2cnc3cccnc32)c1
InChIInChI=1S/C13H12N4/c14-8-10-3-1-4-11(7-10)17-9-16-12-5-2-6-15-13(12)17/h1-7,9H,8,14H2
InChIKeyCBFOKHZDZJKYIO-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
CID 82512845
2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
CID 82512905
3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 141330064
[1-[3-(pyridin-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanamine
CID 12001227
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
CID 162335938
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499
[4-(6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]methanamine
CID 141304295
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244
3-benzylimidazo[4,5-b]pyridine
CID 11009167
imidazo[4,5-b]pyridin-3-amine
CID 69402235

Frequently Asked Questions

What is the IUPAC name of (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine?
The IUPAC name of (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine (CID 82512850) is (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine.
What is the SMILES notation for (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine?
The canonical SMILES for (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine is NCc1cccc(-n2cnc3cccnc32)c1.
What is the InChIKey of (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine?
The InChIKey is CBFOKHZDZJKYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-8-10-3-1-4-11(7-10)17-9-16-12-5-2-6-15-13(12)17/h1-7,9H,8,14H2.
What are the key properties of (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine?
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine has a molecular weight of 224.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine is sourced from PubChem (CID 82512850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).