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

C22H28ClN5O4S — CID 135335010

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H28ClN5O4S/c1-26(2)33(29,30)25-15-5-8-27(9-6-15)16-7-10-28-14-19(24-22(28)11-16)17-12-18(23)21(32-4)13-20(17)31-3/h7,10-15,25H,5-6,8-9H2,1-4H3
InChIKeyJEJZMWHNHQGPSR-UHFFFAOYSA-N
MW494.02 g/mol
LogP3.04
Rot. Bonds7

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

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine (PubChem CID 135335010) has the molecular formula C22H28ClN5O4S and a molecular weight of 494.02 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine
PubChem CID135335010
Molecular FormulaC22H28ClN5O4S
Molecular Weight494.02 g/mol
Exact Mass493.16
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl
InChIInChI=1S/C22H28ClN5O4S/c1-26(2)33(29,30)25-15-5-8-27(9-6-15)16-7-10-28-14-19(24-22(28)11-16)17-12-18(23)21(32-4)13-20(17)31-3/h7,10-15,25H,5-6,8-9H2,1-4H3
InChIKeyJEJZMWHNHQGPSR-UHFFFAOYSA-N
XLogP3.04
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.02
LogP ≤ 53.04
H-Bond Donors ≤ 51
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-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine (CID 135335010) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is JEJZMWHNHQGPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O4S/c1-26(2)33(29,30)25-15-5-8-27(9-6-15)16-7-10-28-14-19(24-22(28)11-16)17-12-18(23)21(32-4)13-20(17)31-3/h7,10-15,25H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 494.02 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 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-(dimethylsulfamoylamino)piperidin-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135335010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).