methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate

C24H29ClN4O4 — CID 135335630

IUPACmethyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C24H29ClN4O4/c1-31-21-15-22(32-2)19(25)14-18(21)20-16-29-8-6-17(13-23(29)26-20)28-11-9-27(10-12-28)7-4-5-24(30)33-3/h6,8,13-16H,4-5,7,9-12H2,1-3H3
InChIKeyAXXKCBDWCAVFHM-UHFFFAOYSA-N
MW472.97 g/mol
LogP3.75
Rot. Bonds8

About methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate

methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate (PubChem CID 135335630) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate
PubChem CID135335630
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Namemethyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1
InChIInChI=1S/C24H29ClN4O4/c1-31-21-15-22(32-2)19(25)14-18(21)20-16-29-8-6-17(13-23(29)26-20)28-11-9-27(10-12-28)7-4-5-24(30)33-3/h6,8,13-16H,4-5,7,9-12H2,1-3H3
InChIKeyAXXKCBDWCAVFHM-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 methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate?
The IUPAC name of methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate (CID 135335630) is methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate?
The canonical SMILES for methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate is COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1.
What is the InChIKey of methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate?
The InChIKey is AXXKCBDWCAVFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-31-21-15-22(32-2)19(25)14-18(21)20-16-29-8-6-17(13-23(29)26-20)28-11-9-27(10-12-28)7-4-5-24(30)33-3/h6,8,13-16H,4-5,7,9-12H2,1-3H3.
What are the key properties of methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate?
methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate 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 methyl 4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]butanoate is sourced from PubChem (CID 135335630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).