ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate

C23H22Cl3N3O3 — CID 11352415

IUPACethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cn23)C1
InChIInChI=1S/C23H22Cl3N3O3/c1-2-32-23(31)15-4-3-9-28(12-15)20(30)11-19-21(14-5-7-16(24)8-6-14)27-22-18(26)10-17(25)13-29(19)22/h5-8,10,13,15H,2-4,9,11-12H2,1H3
InChIKeyBGLJZGMDUTWQNZ-UHFFFAOYSA-N
MW494.81 g/mol
LogP5.31
Rot. Bonds5

About ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate (PubChem CID 11352415) has the molecular formula C23H22Cl3N3O3 and a molecular weight of 494.81 g/mol. Its IUPAC name is ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate
PubChem CID11352415
Molecular FormulaC23H22Cl3N3O3
Molecular Weight494.81 g/mol
Exact Mass493.07
IUPAC Nameethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cn23)C1
InChIInChI=1S/C23H22Cl3N3O3/c1-2-32-23(31)15-4-3-9-28(12-15)20(30)11-19-21(14-5-7-16(24)8-6-14)27-22-18(26)10-17(25)13-29(19)22/h5-8,10,13,15H,2-4,9,11-12H2,1H3
InChIKeyBGLJZGMDUTWQNZ-UHFFFAOYSA-N
XLogP5.31
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.81
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate (CID 11352415) is ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cn23)C1.
What is the InChIKey of ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
The InChIKey is BGLJZGMDUTWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O3/c1-2-32-23(31)15-4-3-9-28(12-15)20(30)11-19-21(14-5-7-16(24)8-6-14)27-22-18(26)10-17(25)13-29(19)22/h5-8,10,13,15H,2-4,9,11-12H2,1H3.
What are the key properties of ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate has a molecular weight of 494.81 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 11352415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).