methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate

C20H17N3O3S — CID 67432088

IUPACmethyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1cccc(N)c1
InChIInChI=1S/C20H17N3O3S/c1-25-20(24)19-16(26-12-13-5-4-6-14(21)9-13)10-17(27-19)15-11-22-18-7-2-3-8-23(15)18/h2-11H,12,21H2,1H3
InChIKeyQXUQRACHVGBXSQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.01
Rot. Bonds5

About methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate

methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate (PubChem CID 67432088) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate
PubChem CID67432088
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Namemethyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1cccc(N)c1
InChIInChI=1S/C20H17N3O3S/c1-25-20(24)19-16(26-12-13-5-4-6-14(21)9-13)10-17(27-19)15-11-22-18-7-2-3-8-23(15)18/h2-11H,12,21H2,1H3
InChIKeyQXUQRACHVGBXSQ-UHFFFAOYSA-N
XLogP4.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate (CID 67432088) is methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate is COC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1cccc(N)c1.
What is the InChIKey of methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate?
The InChIKey is QXUQRACHVGBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-20(24)19-16(26-12-13-5-4-6-14(21)9-13)10-17(27-19)15-11-22-18-7-2-3-8-23(15)18/h2-11H,12,21H2,1H3.
What are the key properties of methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate?
methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate is sourced from PubChem (CID 67432088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).