6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine

C14H14FN3 — CID 154686329

IUPAC6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine
SMILESC=C/C(=C(/C)C(=C)F)c1ccc2nc(N)cn2c1
InChIInChI=1S/C14H14FN3/c1-4-12(9(2)10(3)15)11-5-6-14-17-13(16)8-18(14)7-11/h4-8H,1,3,16H2,2H3/b12-9+
InChIKeyPJNPZOZDWFLVOS-FMIVXFBMSA-N
MW243.28 g/mol
LogP3.36
Rot. Bonds3

About 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine

6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 154686329) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine
PubChem CID154686329
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine
SMILESC=C/C(=C(/C)C(=C)F)c1ccc2nc(N)cn2c1
InChIInChI=1S/C14H14FN3/c1-4-12(9(2)10(3)15)11-5-6-14-17-13(16)8-18(14)7-11/h4-8H,1,3,16H2,2H3/b12-9+
InChIKeyPJNPZOZDWFLVOS-FMIVXFBMSA-N
XLogP3.36
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine (CID 154686329) is 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine is C=C/C(=C(/C)C(=C)F)c1ccc2nc(N)cn2c1.
What is the InChIKey of 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is PJNPZOZDWFLVOS-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14FN3/c1-4-12(9(2)10(3)15)11-5-6-14-17-13(16)8-18(14)7-11/h4-8H,1,3,16H2,2H3/b12-9+.
What are the key properties of 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine?
6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 243.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 154686329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).