2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine

C21H15N3 — CID 71458200

IUPAC2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12
InChIInChI=1S/C21H15N3/c22-21-20(23-18-11-5-6-12-24(18)21)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19/h1-13H,22H2
InChIKeyODKNOTWZPMRDJX-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.89
Rot. Bonds1

About 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine

2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 71458200) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID71458200
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12
InChIInChI=1S/C21H15N3/c22-21-20(23-18-11-5-6-12-24(18)21)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19/h1-13H,22H2
InChIKeyODKNOTWZPMRDJX-UHFFFAOYSA-N
XLogP4.89
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617577
2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 71461760
2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 138039813
2-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618084
2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 154583974
2-anthracen-9-yl-N-pentylimidazo[1,2-a]pyridin-3-amine
CID 71460062
2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618253
2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 63617576
2-(3-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 106818523
2-(4-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 55249543
2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617916
2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619127

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine (CID 71458200) is 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine is Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12.
What is the InChIKey of 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is ODKNOTWZPMRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c22-21-20(23-18-11-5-6-12-24(18)21)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19/h1-13H,22H2.
What are the key properties of 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine?
2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 309.37 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 71458200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).