methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate

C16H14FN3O2 — CID 162759504

IUPACmethyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)nc2ccc(-c3cccc(F)c3C)cn12
InChIInChI=1S/C16H14FN3O2/c1-9-11(4-3-5-12(9)17)10-6-7-13-19-15(18)14(16(21)22-2)20(13)8-10/h3-8H,18H2,1-2H3
InChIKeyBWKMMRXRYZOSOK-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.82
Rot. Bonds2

About methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate

methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 162759504) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID162759504
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Namemethyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)nc2ccc(-c3cccc(F)c3C)cn12
InChIInChI=1S/C16H14FN3O2/c1-9-11(4-3-5-12(9)17)10-6-7-13-19-15(18)14(16(21)22-2)20(13)8-10/h3-8H,18H2,1-2H3
InChIKeyBWKMMRXRYZOSOK-UHFFFAOYSA-N
XLogP2.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 162759504) is methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1c(N)nc2ccc(-c3cccc(F)c3C)cn12.
What is the InChIKey of methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is BWKMMRXRYZOSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-11(4-3-5-12(9)17)10-6-7-13-19-15(18)14(16(21)22-2)20(13)8-10/h3-8H,18H2,1-2H3.
What are the key properties of methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 162759504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).