3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

C21H18ClN3O3S — CID 45270331

IUPAC3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(CO)ccn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-8-13(11-26)6-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)
InChIKeyKVKSYIHBOFOTSG-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.45
Rot. Bonds6

About 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 45270331) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID45270331
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(CO)ccn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-8-13(11-26)6-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)
InChIKeyKVKSYIHBOFOTSG-UHFFFAOYSA-N
XLogP4.45
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 45270331) is 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3cc(CO)ccn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is KVKSYIHBOFOTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-8-13(11-26)6-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27).
What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45270331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).