N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

C20H16N4O2 — CID 12004827

IUPACN-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1
InChIInChI=1S/C20H16N4O2/c1-13-7-9-24-18(10-13)23-19(15-4-2-3-8-21-15)20(24)22-14-5-6-16-17(11-14)26-12-25-16/h2-11,22H,12H2,1H3
InChIKeyJWDJPGYVOIXMPL-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.18
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 12004827) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID12004827
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1
InChIInChI=1S/C20H16N4O2/c1-13-7-9-24-18(10-13)23-19(15-4-2-3-8-21-15)20(24)22-14-5-6-16-17(11-14)26-12-25-16/h2-11,22H,12H2,1H3
InChIKeyJWDJPGYVOIXMPL-UHFFFAOYSA-N
XLogP4.18
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 12004827) is N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is JWDJPGYVOIXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-7-9-24-18(10-13)23-19(15-4-2-3-8-21-15)20(24)22-14-5-6-16-17(11-14)26-12-25-16/h2-11,22H,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 344.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 12004827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).