methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate

C17H15N3O3 — CID 175026463

IUPACmethyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1
InChIInChI=1S/C17H15N3O3/c1-23-17(22)13-4-2-12(3-5-13)11-19-16(21)14-6-8-20-9-7-18-15(20)10-14/h2-10H,11H2,1H3,(H,19,21)
InChIKeyBLZKKNBTMOPMOR-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.05
Rot. Bonds4

About methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate

methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate (PubChem CID 175026463) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate
PubChem CID175026463
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1
InChIInChI=1S/C17H15N3O3/c1-23-17(22)13-4-2-12(3-5-13)11-19-16(21)14-6-8-20-9-7-18-15(20)10-14/h2-10H,11H2,1H3,(H,19,21)
InChIKeyBLZKKNBTMOPMOR-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 172844439
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-(2-imidazo[1,2-a]pyridin-7-yl-2-oxoethyl)acetamide
CID 59320836
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
N-[(3,4-difluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70727068
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-4-(1-propan-2-ylsulfonylazetidin-3-yl)benzamide
CID 86701965
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095
5-[(4-methoxycarbonylphenyl)methylcarbamoyl]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 70320563

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate (CID 175026463) is methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccn3ccnc3c2)cc1.
What is the InChIKey of methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate?
The InChIKey is BLZKKNBTMOPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-17(22)13-4-2-12(3-5-13)11-19-16(21)14-6-8-20-9-7-18-15(20)10-14/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate?
methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate has a molecular weight of 309.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(imidazo[1,2-a]pyridine-7-carbonylamino)methyl]benzoate is sourced from PubChem (CID 175026463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).