2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine

C21H14ClF2N3O2 — CID 58402642

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2cccc(F)n2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H14ClF2N3O2/c22-13-3-1-4-14(23)19(13)20-21(27-17(24)5-2-6-18(27)26-20)25-12-7-8-15-16(11-12)29-10-9-28-15/h1-8,11,25H,9-10H2
InChIKeyARGKERNQRKLDIH-UHFFFAOYSA-N
MW413.81 g/mol
LogP5.45
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine (PubChem CID 58402642) has the molecular formula C21H14ClF2N3O2 and a molecular weight of 413.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine
PubChem CID58402642
Molecular FormulaC21H14ClF2N3O2
Molecular Weight413.81 g/mol
Exact Mass413.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2cccc(F)n2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H14ClF2N3O2/c22-13-3-1-4-14(23)19(13)20-21(27-17(24)5-2-6-18(27)26-20)25-12-7-8-15-16(11-12)29-10-9-28-15/h1-8,11,25H,9-10H2
InChIKeyARGKERNQRKLDIH-UHFFFAOYSA-N
XLogP5.45
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.81
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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)-5-fluoroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine (CID 58402642) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[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)-5-fluoroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine is Fc1cccc(Cl)c1-c1nc2cccc(F)n2c1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is ARGKERNQRKLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O2/c22-13-3-1-4-14(23)19(13)20-21(27-17(24)5-2-6-18(27)26-20)25-12-7-8-15-16(11-12)29-10-9-28-15/h1-8,11,25H,9-10H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 413.81 g/mol, XLogP of 5.45, 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)-5-fluoroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58402642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).