6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine

C16H11F5IN3O — CID 70855170

IUPAC6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine
SMILESFc1cccc(Oc2cc(NCCC(F)(F)F)c3ncc(I)n3c2)c1F
InChIInChI=1S/C16H11F5IN3O/c17-10-2-1-3-12(14(10)18)26-9-6-11(23-5-4-16(19,20)21)15-24-7-13(22)25(15)8-9/h1-3,6-8,23H,4-5H2
InChIKeyZDWZCSGFRCREBS-UHFFFAOYSA-N
MW483.18 g/mol
LogP5.37
Rot. Bonds5

About 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine

6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 70855170) has the molecular formula C16H11F5IN3O and a molecular weight of 483.18 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID70855170
Molecular FormulaC16H11F5IN3O
Molecular Weight483.18 g/mol
Exact Mass482.99
IUPAC Name6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine
SMILESFc1cccc(Oc2cc(NCCC(F)(F)F)c3ncc(I)n3c2)c1F
InChIInChI=1S/C16H11F5IN3O/c17-10-2-1-3-12(14(10)18)26-9-6-11(23-5-4-16(19,20)21)15-24-7-13(22)25(15)8-9/h1-3,6-8,23H,4-5H2
InChIKeyZDWZCSGFRCREBS-UHFFFAOYSA-N
XLogP5.37
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.18
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine (CID 70855170) is 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine is Fc1cccc(Oc2cc(NCCC(F)(F)F)c3ncc(I)n3c2)c1F.
What is the InChIKey of 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is ZDWZCSGFRCREBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5IN3O/c17-10-2-1-3-12(14(10)18)26-9-6-11(23-5-4-16(19,20)21)15-24-7-13(22)25(15)8-9/h1-3,6-8,23H,4-5H2.
What are the key properties of 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine?
6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 483.18 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-3-iodo-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 70855170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).