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

C21H15ClFN3O2 — CID 58402596

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H15ClFN3O2/c22-14-4-3-5-15(23)19(14)20-21(26-9-2-1-6-18(26)25-20)24-13-7-8-16-17(12-13)28-11-10-27-16/h1-9,12,24H,10-11H2
InChIKeyZRABBYWCEGTLCO-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.31
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 58402596) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID58402596
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H15ClFN3O2/c22-14-4-3-5-15(23)19(14)20-21(26-9-2-1-6-18(26)25-20)24-13-7-8-16-17(12-13)28-11-10-27-16/h1-9,12,24H,10-11H2
InChIKeyZRABBYWCEGTLCO-UHFFFAOYSA-N
XLogP5.31
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine (CID 58402596) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine is Fc1cccc(Cl)c1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZRABBYWCEGTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c22-14-4-3-5-15(23)19(14)20-21(26-9-2-1-6-18(26)25-20)24-13-7-8-16-17(12-13)28-11-10-27-16/h1-9,12,24H,10-11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 395.82 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58402596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).