ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate

C21H20N2O3 — CID 14368366

IUPACethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
SMILESC#CCc1c(C)nc2c(OCc3ccc(C(=O)OCC)cc3)cccn12
InChIInChI=1S/C21H20N2O3/c1-4-7-18-15(3)22-20-19(8-6-13-23(18)20)26-14-16-9-11-17(12-10-16)21(24)25-5-2/h1,6,8-13H,5,7,14H2,2-3H3
InChIKeyXHFZGMGQSTWTOJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.57
Rot. Bonds6

About ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate

ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate (PubChem CID 14368366) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
PubChem CID14368366
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate
SMILESC#CCc1c(C)nc2c(OCc3ccc(C(=O)OCC)cc3)cccn12
InChIInChI=1S/C21H20N2O3/c1-4-7-18-15(3)22-20-19(8-6-13-23(18)20)26-14-16-9-11-17(12-10-16)21(24)25-5-2/h1,6,8-13H,5,7,14H2,2-3H3
InChIKeyXHFZGMGQSTWTOJ-UHFFFAOYSA-N
XLogP3.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368367
2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzamide
CID 14368363
[2-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]urea
CID 14368360
8-[(2-methoxyphenyl)methoxy]-2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286353
N-[4-methyl-3-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]acetamide
CID 14368356
2-methyl-8-[(2-nitrophenyl)methoxy]-3-prop-2-ynylimidazo[1,2-a]pyridine
CID 21286354
9-[[4-(4-chlorobenzoyl)phenyl]methoxy]-2,3-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 18919249
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055784
8-[(4-methoxyphenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-ol
CID 70511845
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 57261502

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate (CID 14368366) is ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate is C#CCc1c(C)nc2c(OCc3ccc(C(=O)OCC)cc3)cccn12.
What is the InChIKey of ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
The InChIKey is XHFZGMGQSTWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-4-7-18-15(3)22-20-19(8-6-13-23(18)20)26-14-16-9-11-17(12-10-16)21(24)25-5-2/h1,6,8-13H,5,7,14H2,2-3H3.
What are the key properties of ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate?
ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate has a molecular weight of 348.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-3-prop-2-ynylimidazo[1,2-a]pyridin-8-yl)oxymethyl]benzoate is sourced from PubChem (CID 14368366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).