3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine

C27H30N4O3S — CID 46114559

IUPAC3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C27H30N4O3S/c1-3-35(32,33)30-16-14-29(15-17-30)20-25-27(22-10-7-11-24(18-22)34-2)28-26-13-12-23(19-31(25)26)21-8-5-4-6-9-21/h4-13,18-19H,3,14-17,20H2,1-2H3
InChIKeyWVZFJPVCUXYIOV-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.14
Rot. Bonds7

About 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine

3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine (PubChem CID 46114559) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine
PubChem CID46114559
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C27H30N4O3S/c1-3-35(32,33)30-16-14-29(15-17-30)20-25-27(22-10-7-11-24(18-22)34-2)28-26-13-12-23(19-31(25)26)21-8-5-4-6-9-21/h4-13,18-19H,3,14-17,20H2,1-2H3
InChIKeyWVZFJPVCUXYIOV-UHFFFAOYSA-N
XLogP4.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine (CID 46114559) is 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine is CCS(=O)(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine?
The InChIKey is WVZFJPVCUXYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-3-35(32,33)30-16-14-29(15-17-30)20-25-27(22-10-7-11-24(18-22)34-2)28-26-13-12-23(19-31(25)26)21-8-5-4-6-9-21/h4-13,18-19H,3,14-17,20H2,1-2H3.
What are the key properties of 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine?
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine has a molecular weight of 490.63 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46114559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).