methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate

C18H16FN3O3 — CID 99837247

IUPACmethyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](CNC(=O)c1ccc2nccn2c1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c1-25-18(24)15(12-2-5-14(19)6-3-12)10-21-17(23)13-4-7-16-20-8-9-22(16)11-13/h2-9,11,15H,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyRXUVLDMOBRRHOQ-HNNXBMFYSA-N
MW341.34 g/mol
LogP2.16
Rot. Bonds5

About methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate

methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate (PubChem CID 99837247) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate
PubChem CID99837247
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Namemethyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate
SMILESCOC(=O)[C@@H](CNC(=O)c1ccc2nccn2c1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3/c1-25-18(24)15(12-2-5-14(19)6-3-12)10-21-17(23)13-4-7-16-20-8-9-22(16)11-13/h2-9,11,15H,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyRXUVLDMOBRRHOQ-HNNXBMFYSA-N
XLogP2.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704051
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242
methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
CID 86778568
methyl (2R,3R)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
CID 96559511
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
N-(3-hydroxy-2,2-dimethylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475104
N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 95618106
N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703963
methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate
CID 99837257
(2R)-2-(imidazo[1,2-a]pyridine-6-carbonylamino)-4-methylpentanoic acid
CID 119363473
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 134791397

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate (CID 99837247) is methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate is COC(=O)[C@@H](CNC(=O)c1ccc2nccn2c1)c1ccc(F)cc1.
What is the InChIKey of methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate?
The InChIKey is RXUVLDMOBRRHOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-25-18(24)15(12-2-5-14(19)6-3-12)10-21-17(23)13-4-7-16-20-8-9-22(16)11-13/h2-9,11,15H,10H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate?
methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate has a molecular weight of 341.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate is sourced from PubChem (CID 99837247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).