ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C21H22ClN3O3 — CID 121309718

IUPACethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C21H22ClN3O3/c1-2-28-21(26)16-5-8-19-23-20(15-3-6-17(22)7-4-15)18(25(19)13-16)14-24-9-11-27-12-10-24/h3-8,13H,2,9-12,14H2,1H3
InChIKeyYCYFRVQNJCUPGE-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.66
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 121309718) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID121309718
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Nameethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C21H22ClN3O3/c1-2-28-21(26)16-5-8-19-23-20(15-3-6-17(22)7-4-15)18(25(19)13-16)14-24-9-11-27-12-10-24/h3-8,13H,2,9-12,14H2,1H3
InChIKeyYCYFRVQNJCUPGE-UHFFFAOYSA-N
XLogP3.66
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 121309718) is ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is YCYFRVQNJCUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-2-28-21(26)16-5-8-19-23-20(15-3-6-17(22)7-4-15)18(25(19)13-16)14-24-9-11-27-12-10-24/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 399.88 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 121309718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).