methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate

C19H19N3O3 — CID 86778568

IUPACmethyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)C(NC(=O)c1ccc2nccn2c1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-13(19(24)25-2)17(14-6-4-3-5-7-14)21-18(23)15-8-9-16-20-10-11-22(16)12-15/h3-13,17H,1-2H3,(H,21,23)
InChIKeyHXKZFDHWCYXDEJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds5

About methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate

methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate (PubChem CID 86778568) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
PubChem CID86778568
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)C(NC(=O)c1ccc2nccn2c1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-13(19(24)25-2)17(14-6-4-3-5-7-14)21-18(23)15-8-9-16-20-10-11-22(16)12-15/h3-13,17H,1-2H3,(H,21,23)
InChIKeyHXKZFDHWCYXDEJ-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate (CID 86778568) is methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate is COC(=O)C(C)C(NC(=O)c1ccc2nccn2c1)c1ccccc1.
What is the InChIKey of methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
The InChIKey is HXKZFDHWCYXDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(19(24)25-2)17(14-6-4-3-5-7-14)21-18(23)15-8-9-16-20-10-11-22(16)12-15/h3-13,17H,1-2H3,(H,21,23).
What are the key properties of methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate has a molecular weight of 337.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 86778568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).