2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

C15H13F2N3O — CID 162759538

IUPAC2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESC=C/C(=C(/C)C(=C)F)c1cc(F)c2nc(N)c(C=O)n2c1
InChIInChI=1S/C15H13F2N3O/c1-4-11(8(2)9(3)16)10-5-12(17)15-19-14(18)13(7-21)20(15)6-10/h4-7H,1,3,18H2,2H3/b11-8+
InChIKeyKFRSPKLVGDXPDD-DHZHZOJOSA-N
MW289.29 g/mol
LogP3.31
Rot. Bonds4

About 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 162759538) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID162759538
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESC=C/C(=C(/C)C(=C)F)c1cc(F)c2nc(N)c(C=O)n2c1
InChIInChI=1S/C15H13F2N3O/c1-4-11(8(2)9(3)16)10-5-12(17)15-19-14(18)13(7-21)20(15)6-10/h4-7H,1,3,18H2,2H3/b11-8+
InChIKeyKFRSPKLVGDXPDD-DHZHZOJOSA-N
XLogP3.31
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 162759538) is 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is C=C/C(=C(/C)C(=C)F)c1cc(F)c2nc(N)c(C=O)n2c1.
What is the InChIKey of 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is KFRSPKLVGDXPDD-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-4-11(8(2)9(3)16)10-5-12(17)15-19-14(18)13(7-21)20(15)6-10/h4-7H,1,3,18H2,2H3/b11-8+.
What are the key properties of 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 289.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-fluoro-6-[(3E)-5-fluoro-4-methylhexa-1,3,5-trien-3-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 162759538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).