imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate

C20H15N3O3S — CID 7492119

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCc1cn2ccccc2n1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H15N3O3S/c24-19(17-7-4-10-27-17)22-15-6-3-5-14(11-15)20(25)26-13-16-12-23-9-2-1-8-18(23)21-16/h1-12H,13H2,(H,22,24)
InChIKeyTUZVEPDFJNJKOM-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.01
Rot. Bonds5

About imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate

imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 7492119) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate
PubChem CID7492119
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCc1cn2ccccc2n1)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H15N3O3S/c24-19(17-7-4-10-27-17)22-15-6-3-5-14(11-15)20(25)26-13-16-12-23-9-2-1-8-18(23)21-16/h1-12H,13H2,(H,22,24)
InChIKeyTUZVEPDFJNJKOM-UHFFFAOYSA-N
XLogP4.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7888664
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 8597757
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7997507
N-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016634
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
2-(4-ethoxyphenoxy)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492050
[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491975
(2-methoxy-5-methylphenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7644966
N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 18096051

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate (CID 7492119) is imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate is O=C(OCc1cn2ccccc2n1)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is TUZVEPDFJNJKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-19(17-7-4-10-27-17)22-15-6-3-5-14(11-15)20(25)26-13-16-12-23-9-2-1-8-18(23)21-16/h1-12H,13H2,(H,22,24).
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 377.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 7492119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).