5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

C21H19ClN4O2S — CID 67437966

IUPAC5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccc(CN)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2S/c1-12(14-4-2-3-5-15(14)22)28-17-8-18(29-20(17)21(24)27)16-10-25-19-7-6-13(9-23)11-26(16)19/h2-8,10-12H,9,23H2,1H3,(H2,24,27)
InChIKeyWVUZTRSRJZOMIC-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.41
Rot. Bonds6

About 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide

5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (PubChem CID 67437966) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
PubChem CID67437966
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccc(CN)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2S/c1-12(14-4-2-3-5-15(14)22)28-17-8-18(29-20(17)21(24)27)16-10-25-19-7-6-13(9-23)11-26(16)19/h2-8,10-12H,9,23H2,1H3,(H2,24,27)
InChIKeyWVUZTRSRJZOMIC-UHFFFAOYSA-N
XLogP4.41
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide (CID 67437966) is 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccc(CN)cn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
The InChIKey is WVUZTRSRJZOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-12(14-4-2-3-5-15(14)22)28-17-8-18(29-20(17)21(24)27)16-10-25-19-7-6-13(9-23)11-26(16)19/h2-8,10-12H,9,23H2,1H3,(H2,24,27).
What are the key properties of 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide?
5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67437966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).