2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine

C17H18FN3 — CID 82528922

IUPAC2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine
SMILESCCC(C)c1ccc(-c2nc3c(F)cccn3c2N)cc1
InChIInChI=1S/C17H18FN3/c1-3-11(2)12-6-8-13(9-7-12)15-16(19)21-10-4-5-14(18)17(21)20-15/h4-11H,3,19H2,1-2H3
InChIKeyCCWMKKZRUVTBCN-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine

2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine (PubChem CID 82528922) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine
PubChem CID82528922
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine
SMILESCCC(C)c1ccc(-c2nc3c(F)cccn3c2N)cc1
InChIInChI=1S/C17H18FN3/c1-3-11(2)12-6-8-13(9-7-12)15-16(19)21-10-4-5-14(18)17(21)20-15/h4-11H,3,19H2,1-2H3
InChIKeyCCWMKKZRUVTBCN-UHFFFAOYSA-N
XLogP4.24
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine (CID 82528922) is 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine is CCC(C)c1ccc(-c2nc3c(F)cccn3c2N)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is CCWMKKZRUVTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-3-11(2)12-6-8-13(9-7-12)15-16(19)21-10-4-5-14(18)17(21)20-15/h4-11H,3,19H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine?
2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 283.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-8-fluoroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 82528922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).