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

C20H23ClN4O4S — CID 135335110

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(C)(=O)=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C20H23ClN4O4S/c1-28-18-12-19(29-2)16(21)11-15(18)17-13-24-5-4-14(10-20(24)22-17)23-6-8-25(9-7-23)30(3,26)27/h4-5,10-13H,6-9H2,1-3H3
InChIKeyPAMKURBUURHXSH-UHFFFAOYSA-N
MW450.95 g/mol
LogP2.75
Rot. Bonds5

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 135335110) has the molecular formula C20H23ClN4O4S and a molecular weight of 450.95 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID135335110
Molecular FormulaC20H23ClN4O4S
Molecular Weight450.95 g/mol
Exact Mass450.11
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(C)(=O)=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C20H23ClN4O4S/c1-28-18-12-19(29-2)16(21)11-15(18)17-13-24-5-4-14(10-20(24)22-17)23-6-8-25(9-7-23)30(3,26)27/h4-5,10-13H,6-9H2,1-3H3
InChIKeyPAMKURBUURHXSH-UHFFFAOYSA-N
XLogP2.75
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 135335110) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCN(S(C)(=O)=O)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is PAMKURBUURHXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4S/c1-28-18-12-19(29-2)16(21)11-15(18)17-13-24-5-4-14(10-20(24)22-17)23-6-8-25(9-7-23)30(3,26)27/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 450.95 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135335110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).