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

C19H19N3O3 — CID 96559511

IUPACmethyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@H](C)[C@@H](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)/t13-,17-/m1/s1
InChIKeyHXKZFDHWCYXDEJ-CXAGYDPISA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds5

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

methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate (PubChem CID 96559511) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
PubChem CID96559511
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
SMILESCOC(=O)[C@H](C)[C@@H](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)/t13-,17-/m1/s1
InChIKeyHXKZFDHWCYXDEJ-CXAGYDPISA-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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Related Compounds

methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
CID 86778568
(2R)-2-(imidazo[1,2-a]pyridine-6-carbonylamino)-4-methylpentanoic acid
CID 119363473
N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71912782
methyl (2R,3S)-3-[(3-imidazol-1-ylbenzoyl)amino]-2-methyl-3-phenylpropanoate
CID 95974182
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate
CID 99837247
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
N-[(1R)-1-piperidin-4-ylethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 166248842
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate (CID 96559511) is methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate is COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc2nccn2c1)c1ccccc1.
What is the InChIKey of methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
The InChIKey is HXKZFDHWCYXDEJ-CXAGYDPISA-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)/t13-,17-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate?
methyl (2R,3R)-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 (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 96559511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).