2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine

C24H26ClN5O5S — CID 135281238

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(OC4CCN(S(=O)(=O)c5nccn5C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H26ClN5O5S/c1-28-11-7-26-24(28)36(31,32)30-9-5-16(6-10-30)35-17-4-8-29-15-20(27-23(29)12-17)18-13-19(25)22(34-3)14-21(18)33-2/h4,7-8,11-16H,5-6,9-10H2,1-3H3
InChIKeyGBWJBHHGTFITJG-UHFFFAOYSA-N
MW532.02 g/mol
LogP3.64
Rot. Bonds7

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine (PubChem CID 135281238) has the molecular formula C24H26ClN5O5S and a molecular weight of 532.02 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine
PubChem CID135281238
Molecular FormulaC24H26ClN5O5S
Molecular Weight532.02 g/mol
Exact Mass531.13
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(OC4CCN(S(=O)(=O)c5nccn5C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H26ClN5O5S/c1-28-11-7-26-24(28)36(31,32)30-9-5-16(6-10-30)35-17-4-8-29-15-20(27-23(29)12-17)18-13-19(25)22(34-3)14-21(18)33-2/h4,7-8,11-16H,5-6,9-10H2,1-3H3
InChIKeyGBWJBHHGTFITJG-UHFFFAOYSA-N
XLogP3.64
TPSA100.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine (CID 135281238) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(OC4CCN(S(=O)(=O)c5nccn5C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine?
The InChIKey is GBWJBHHGTFITJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O5S/c1-28-11-7-26-24(28)36(31,32)30-9-5-16(6-10-30)35-17-4-8-29-15-20(27-23(29)12-17)18-13-19(25)22(34-3)14-21(18)33-2/h4,7-8,11-16H,5-6,9-10H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine has a molecular weight of 532.02 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]oxyimidazo[1,2-a]pyridine is sourced from PubChem (CID 135281238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).