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

C22H21ClN4O3S — CID 67437948

IUPAC3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccc(NCCO)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C22H21ClN4O3S/c1-13(15-4-2-3-5-16(15)23)30-18-10-19(31-21(18)22(24)29)17-11-26-20-7-6-14(12-27(17)20)25-8-9-28/h2-7,10-13,25,28H,8-9H2,1H3,(H2,24,29)
InChIKeyQKBYTZIGALLDBR-UHFFFAOYSA-N
MW456.96 g/mol
LogP4.36
Rot. Bonds8

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

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 67437948) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID67437948
Molecular FormulaC22H21ClN4O3S
Molecular Weight456.96 g/mol
Exact Mass456.10
IUPAC Name3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccc(NCCO)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C22H21ClN4O3S/c1-13(15-4-2-3-5-16(15)23)30-18-10-19(31-21(18)22(24)29)17-11-26-20-7-6-14(12-27(17)20)25-8-9-28/h2-7,10-13,25,28H,8-9H2,1H3,(H2,24,29)
InChIKeyQKBYTZIGALLDBR-UHFFFAOYSA-N
XLogP4.36
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 67437948) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccc(NCCO)cn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is QKBYTZIGALLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c1-13(15-4-2-3-5-16(15)23)30-18-10-19(31-21(18)22(24)29)17-11-26-20-7-6-14(12-27(17)20)25-8-9-28/h2-7,10-13,25,28H,8-9H2,1H3,(H2,24,29).
What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 456.96 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67437948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).