N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

C20H16N4O2 — CID 7299210

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C20H16N4O2/c1-3-9-21-15(5-1)19-20(24-10-4-2-6-18(24)23-19)22-14-7-8-16-17(13-14)26-12-11-25-16/h1-10,13,22H,11-12H2
InChIKeyWJUCHYUNFGSMFB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.91
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 7299210) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID7299210
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C20H16N4O2/c1-3-9-21-15(5-1)19-20(24-10-4-2-6-18(24)23-19)22-14-7-8-16-17(13-14)26-12-11-25-16/h1-10,13,22H,11-12H2
InChIKeyWJUCHYUNFGSMFB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 7299210) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is WJUCHYUNFGSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-3-9-21-15(5-1)19-20(24-10-4-2-6-18(24)23-19)22-14-7-8-16-17(13-14)26-12-11-25-16/h1-10,13,22H,11-12H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 344.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7299210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).