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

C20H15ClN4O2 — CID 7299208

IUPAC6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C20H15ClN4O2/c21-13-4-7-18-24-19(15-3-1-2-8-22-15)20(25(18)12-13)23-14-5-6-16-17(11-14)27-10-9-26-16/h1-8,11-12,23H,9-10H2
InChIKeyBLGUPKUWXAXMPL-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.56
Rot. Bonds3

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

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 7299208) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID7299208
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C20H15ClN4O2/c21-13-4-7-18-24-19(15-3-1-2-8-22-15)20(25(18)12-13)23-14-5-6-16-17(11-14)27-10-9-26-16/h1-8,11-12,23H,9-10H2
InChIKeyBLGUPKUWXAXMPL-UHFFFAOYSA-N
XLogP4.56
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.56
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 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 7299208) is 6-chloro-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 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is Clc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCCO4)n2c1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is BLGUPKUWXAXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-13-4-7-18-24-19(15-3-1-2-8-22-15)20(25(18)12-13)23-14-5-6-16-17(11-14)27-10-9-26-16/h1-8,11-12,23H,9-10H2.
What are the key properties of 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 378.82 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7299208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).