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

C24H25Cl2N3O3 — CID 156575498

IUPACethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C24H25Cl2N3O3/c1-2-32-23(31)13-16-9-11-28(12-10-16)22(30)14-20-24(17-3-5-18(25)6-4-17)27-21-8-7-19(26)15-29(20)21/h3-8,15-16H,2,9-14H2,1H3
InChIKeyXWKPYCZBRVPIAK-UHFFFAOYSA-N
MW474.39 g/mol
LogP5.04
Rot. Bonds6

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

ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate (PubChem CID 156575498) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate
PubChem CID156575498
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC Nameethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C24H25Cl2N3O3/c1-2-32-23(31)13-16-9-11-28(12-10-16)22(30)14-20-24(17-3-5-18(25)6-4-17)27-21-8-7-19(26)15-29(20)21/h3-8,15-16H,2,9-14H2,1H3
InChIKeyXWKPYCZBRVPIAK-UHFFFAOYSA-N
XLogP5.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate (CID 156575498) is ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate is CCOC(=O)CC1CCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CC1.
What is the InChIKey of ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate?
The InChIKey is XWKPYCZBRVPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c1-2-32-23(31)13-16-9-11-28(12-10-16)22(30)14-20-24(17-3-5-18(25)6-4-17)27-21-8-7-19(26)15-29(20)21/h3-8,15-16H,2,9-14H2,1H3.
What are the key properties of ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate?
ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate has a molecular weight of 474.39 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidin-4-yl]acetate is sourced from PubChem (CID 156575498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).