methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate

C20H16N2O3S — CID 67429074

IUPACmethyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1
InChIInChI=1S/C20H16N2O3S/c1-24-20(23)19-16(25-13-14-7-3-2-4-8-14)11-17(26-19)15-12-21-18-9-5-6-10-22(15)18/h2-12H,13H2,1H3
InChIKeyVVDZFDKGVFGDPD-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.43
Rot. Bonds5

About methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate

methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate (PubChem CID 67429074) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate
PubChem CID67429074
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Namemethyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1
InChIInChI=1S/C20H16N2O3S/c1-24-20(23)19-16(25-13-14-7-3-2-4-8-14)11-17(26-19)15-12-21-18-9-5-6-10-22(15)18/h2-12H,13H2,1H3
InChIKeyVVDZFDKGVFGDPD-UHFFFAOYSA-N
XLogP4.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate
CID 67432088
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
methyl 3-[(1R)-1-[4-(benzoyloxymethyl)-2-(difluoromethoxy)phenyl]ethoxy]-5-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate
CID 67431424
3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 56667239
3-[1-[2-chloro-4-[3-(methylamino)propyl]phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67437843
5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
CID 67436666
5-imidazo[1,2-a]pyridin-3-yl-3-(methoxymethoxy)-4-methylthiophene-2-carboxylic acid
CID 67429057
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
5-methylperoxysulfanyl-3-phenylmethoxythiophene-2-carboxylic acid
CID 54138610
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
CID 9355701
3-[(1R)-1-[2-chloro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 45271970
3-imidazo[1,2-a]pyridin-3-yl-5-phenylmethoxy-6-sulfanylidenecyclohexa-1,3-diene-1-carboxylic acid
CID 87398101

Frequently Asked Questions

What is the IUPAC name of methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate?
The IUPAC name of methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate (CID 67429074) is methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate is COC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1.
What is the InChIKey of methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate?
The InChIKey is VVDZFDKGVFGDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-20(23)19-16(25-13-14-7-3-2-4-8-14)11-17(26-19)15-12-21-18-9-5-6-10-22(15)18/h2-12H,13H2,1H3.
What are the key properties of methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate?
methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate is sourced from PubChem (CID 67429074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).