2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine

C23H27ClN4O3S — CID 135334874

IUPAC2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1
InChIInChI=1S/C23H27ClN4O3S/c1-3-16-12-22(31-2)20(24)14-19(16)21-15-27-7-6-17(13-23(27)25-21)26-8-10-28(11-9-26)32(29,30)18-4-5-18/h6-7,12-15,18H,3-5,8-11H2,1-2H3
InChIKeyOEIQIWNAVTYSEC-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.84
Rot. Bonds6

About 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine

2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 135334874) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
PubChem CID135334874
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
SMILESCCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1
InChIInChI=1S/C23H27ClN4O3S/c1-3-16-12-22(31-2)20(24)14-19(16)21-15-27-7-6-17(13-23(27)25-21)26-8-10-28(11-9-26)32(29,30)18-4-5-18/h6-7,12-15,18H,3-5,8-11H2,1-2H3
InChIKeyOEIQIWNAVTYSEC-UHFFFAOYSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.84
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-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 135334874) is 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine is CCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1.
What is the InChIKey of 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is OEIQIWNAVTYSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-3-16-12-22(31-2)20(24)14-19(16)21-15-27-7-6-17(13-23(27)25-21)26-8-10-28(11-9-26)32(29,30)18-4-5-18/h6-7,12-15,18H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine?
2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 475.01 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethyl-4-methoxyphenyl)-7-(4-cyclopropylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 135334874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).