4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline

C19H15N3 — CID 101425986

IUPAC4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ncc4ccccn34)cc2)cc1
InChIInChI=1S/C19H15N3/c20-17-10-8-15(9-11-17)14-4-6-16(7-5-14)19-21-13-18-3-1-2-12-22(18)19/h1-13H,20H2
InChIKeyJSRGDGZIWGBVDL-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.25
Rot. Bonds2

About 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline

4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline (PubChem CID 101425986) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline
PubChem CID101425986
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ncc4ccccn34)cc2)cc1
InChIInChI=1S/C19H15N3/c20-17-10-8-15(9-11-17)14-4-6-16(7-5-14)19-21-13-18-3-1-2-12-22(18)19/h1-13H,20H2
InChIKeyJSRGDGZIWGBVDL-UHFFFAOYSA-N
XLogP4.25
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline?
The IUPAC name of 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline (CID 101425986) is 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline.
What is the SMILES notation for 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline?
The canonical SMILES for 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline is Nc1ccc(-c2ccc(-c3ncc4ccccn34)cc2)cc1.
What is the InChIKey of 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline?
The InChIKey is JSRGDGZIWGBVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c20-17-10-8-15(9-11-17)14-4-6-16(7-5-14)19-21-13-18-3-1-2-12-22(18)19/h1-13H,20H2.
What are the key properties of 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline?
4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline has a molecular weight of 285.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline is sourced from PubChem (CID 101425986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).