ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate

C24H29ClN4O4 — CID 135335449

IUPACethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C24H29ClN4O4/c1-4-33-24(30)6-7-27-9-11-28(12-10-27)17-5-8-29-16-20(26-23(29)13-17)18-14-19(25)22(32-3)15-21(18)31-2/h5,8,13-16H,4,6-7,9-12H2,1-3H3
InChIKeyNFTUGDGISMGINY-UHFFFAOYSA-N
MW472.97 g/mol
LogP3.75
Rot. Bonds8

About ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate

ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate (PubChem CID 135335449) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
PubChem CID135335449
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Nameethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C24H29ClN4O4/c1-4-33-24(30)6-7-27-9-11-28(12-10-27)17-5-8-29-16-20(26-23(29)13-17)18-14-19(25)22(32-3)15-21(18)31-2/h5,8,13-16H,4,6-7,9-12H2,1-3H3
InChIKeyNFTUGDGISMGINY-UHFFFAOYSA-N
XLogP3.75
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate (CID 135335449) is ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate is CCOC(=O)CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1.
What is the InChIKey of ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
The InChIKey is NFTUGDGISMGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-4-33-24(30)6-7-27-9-11-28(12-10-27)17-5-8-29-16-20(26-23(29)13-17)18-14-19(25)22(32-3)15-21(18)31-2/h5,8,13-16H,4,6-7,9-12H2,1-3H3.
What are the key properties of ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate?
ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate has a molecular weight of 472.97 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]propanoate is sourced from PubChem (CID 135335449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).