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

C20H17N3O3 — CID 7066850

IUPACN-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H17N3O3/c1-12-4-3-5-18-22-19(16-8-6-13(2)26-16)20(23(12)18)21-14-7-9-15-17(10-14)25-11-24-15/h3-10,21H,11H2,1-2H3
InChIKeyUJQCHRKCYUOYKK-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.68
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7066850) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7066850
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H17N3O3/c1-12-4-3-5-18-22-19(16-8-6-13(2)26-16)20(23(12)18)21-14-7-9-15-17(10-14)25-11-24-15/h3-10,21H,11H2,1-2H3
InChIKeyUJQCHRKCYUOYKK-UHFFFAOYSA-N
XLogP4.68
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_C(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 7066850) is N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is UJQCHRKCYUOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-4-3-5-18-22-19(16-8-6-13(2)26-16)20(23(12)18)21-14-7-9-15-17(10-14)25-11-24-15/h3-10,21H,11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 347.37 g/mol, XLogP of 4.68, 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)-5-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7066850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).