methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate

C13H16N2O3 — CID 117133420

IUPACmethyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOCCCc1cn2ccc(C(=O)OC)cc2n1
InChIInChI=1S/C13H16N2O3/c1-17-7-3-4-11-9-15-6-5-10(13(16)18-2)8-12(15)14-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyAREZBLUPHVRYJR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117133420) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117133420
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOCCCc1cn2ccc(C(=O)OC)cc2n1
InChIInChI=1S/C13H16N2O3/c1-17-7-3-4-11-9-15-6-5-10(13(16)18-2)8-12(15)14-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyAREZBLUPHVRYJR-UHFFFAOYSA-N
XLogP1.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117135564
methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256424
methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 155399381
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442
methyl 2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117134360
methyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135447
methyl 2-[(2S)-2-amino-3-(hexylamino)-3-oxopropyl]imidazo[1,2-a]pyridine-7-carboxylate;2,2,2-trifluoroacetic acid
CID 175870109
2-methoxy-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 47343610
methyl 3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108801384

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 117133420) is methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate is COCCCc1cn2ccc(C(=O)OC)cc2n1.
What is the InChIKey of methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is AREZBLUPHVRYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-7-3-4-11-9-15-6-5-10(13(16)18-2)8-12(15)14-11/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117133420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).