ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate

C23H23Cl2N3O3 — CID 11328655

IUPACethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)C1
InChIInChI=1S/C23H23Cl2N3O3/c1-2-31-23(30)16-4-3-11-27(13-16)21(29)12-19-22(15-5-7-17(24)8-6-15)26-20-10-9-18(25)14-28(19)20/h5-10,14,16H,2-4,11-13H2,1H3
InChIKeyRRWKQWNTMGJLLA-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.65
Rot. Bonds5

About ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate (PubChem CID 11328655) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate
PubChem CID11328655
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC Nameethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)C1
InChIInChI=1S/C23H23Cl2N3O3/c1-2-31-23(30)16-4-3-11-27(13-16)21(29)12-19-22(15-5-7-17(24)8-6-15)26-20-10-9-18(25)14-28(19)20/h5-10,14,16H,2-4,11-13H2,1H3
InChIKeyRRWKQWNTMGJLLA-UHFFFAOYSA-N
XLogP4.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate (CID 11328655) is ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)C1.
What is the InChIKey of ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
The InChIKey is RRWKQWNTMGJLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c1-2-31-23(30)16-4-3-11-27(13-16)21(29)12-19-22(15-5-7-17(24)8-6-15)26-20-10-9-18(25)14-28(19)20/h5-10,14,16H,2-4,11-13H2,1H3.
What are the key properties of ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate has a molecular weight of 460.36 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 11328655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).