6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine

C26H25N3O4S — CID 155521310

IUPAC6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccccc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C26H25N3O4S/c1-32-24-10-8-20(16-25(24)33-2)23-18-28-17-21(9-11-26(28)27-23)19-12-14-29(15-13-19)34(30,31)22-6-4-3-5-7-22/h3-12,16-18H,13-15H2,1-2H3
InChIKeyNLUBTFUNFFEOFA-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.50
Rot. Bonds6

About 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine

6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 155521310) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID155521310
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccccc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C26H25N3O4S/c1-32-24-10-8-20(16-25(24)33-2)23-18-28-17-21(9-11-26(28)27-23)19-12-14-29(15-13-19)34(30,31)22-6-4-3-5-7-22/h3-12,16-18H,13-15H2,1-2H3
InChIKeyNLUBTFUNFFEOFA-UHFFFAOYSA-N
XLogP4.50
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (CID 155521310) is 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccccc5)CC4)ccc3n2)cc1OC.
What is the InChIKey of 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is NLUBTFUNFFEOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-32-24-10-8-20(16-25(24)33-2)23-18-28-17-21(9-11-26(28)27-23)19-12-14-29(15-13-19)34(30,31)22-6-4-3-5-7-22/h3-12,16-18H,13-15H2,1-2H3.
What are the key properties of 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 475.57 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155521310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).