2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine

C25H25ClN4O2 — CID 135334909

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccccc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-31-23-16-24(32-2)21(26)15-20(23)22-17-30-9-8-19(14-25(30)27-22)29-12-10-28(11-13-29)18-6-4-3-5-7-18/h3-9,14-17H,10-13H2,1-2H3
InChIKeyRGGWDPUMVZIOTG-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.00
Rot. Bonds5

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 135334909) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID135334909
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccccc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H25ClN4O2/c1-31-23-16-24(32-2)21(26)15-20(23)22-17-30-9-8-19(14-25(30)27-22)29-12-10-28(11-13-29)18-6-4-3-5-7-18/h3-9,14-17H,10-13H2,1-2H3
InChIKeyRGGWDPUMVZIOTG-UHFFFAOYSA-N
XLogP5.00
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 135334909) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccccc5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is RGGWDPUMVZIOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-31-23-16-24(32-2)21(26)15-20(23)22-17-30-9-8-19(14-25(30)27-22)29-12-10-28(11-13-29)18-6-4-3-5-7-18/h3-9,14-17H,10-13H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 448.95 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135334909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).