3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline

C15H15N3 — CID 28751259

IUPAC3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline
SMILESNc1cccc(CCc2ncc3ccccn23)c1
InChIInChI=1S/C15H15N3/c16-13-5-3-4-12(10-13)7-8-15-17-11-14-6-1-2-9-18(14)15/h1-6,9-11H,7-8,16H2
InChIKeyNKEQHJXSAQDABZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.70
Rot. Bonds3

About 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline

3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline (PubChem CID 28751259) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline
PubChem CID28751259
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline
SMILESNc1cccc(CCc2ncc3ccccn23)c1
InChIInChI=1S/C15H15N3/c16-13-5-3-4-12(10-13)7-8-15-17-11-14-6-1-2-9-18(14)15/h1-6,9-11H,7-8,16H2
InChIKeyNKEQHJXSAQDABZ-UHFFFAOYSA-N
XLogP2.70
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 78962030
3-[(3-chlorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117139524
3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117139523
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
CID 110292198
1-imidazo[1,5-a]pyridin-3-yl-N,N,2-trimethylpropan-2-amine
CID 168943595
3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-6-amine
CID 117139496
2-(imidazo[1,5-a]pyridin-3-ylmethyl)phenol
CID 117139622
3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 82058656
3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridin-7-amine
CID 117144835
3-(furan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117140006
3-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]aniline
CID 82469664
4-(4-imidazo[1,5-a]pyridin-3-ylphenyl)aniline
CID 101425986

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline?
The IUPAC name of 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline (CID 28751259) is 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline.
What is the SMILES notation for 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline?
The canonical SMILES for 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline is Nc1cccc(CCc2ncc3ccccn23)c1.
What is the InChIKey of 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline?
The InChIKey is NKEQHJXSAQDABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-13-5-3-4-12(10-13)7-8-15-17-11-14-6-1-2-9-18(14)15/h1-6,9-11H,7-8,16H2.
What are the key properties of 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline?
3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline has a molecular weight of 237.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[1,5-a]pyridin-3-ylethyl)aniline is sourced from PubChem (CID 28751259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).