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

C30H33N3O4S — CID 155545589

IUPAC6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C(C)(C)C)cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C30H33N3O4S/c1-30(2,3)24-8-10-25(11-9-24)38(34,35)33-16-14-21(15-17-33)23-7-13-29-31-26(20-32(29)19-23)22-6-12-27(36-4)28(18-22)37-5/h6-14,18-20H,15-17H2,1-5H3
InChIKeyODEGCURHPXPGTB-UHFFFAOYSA-N
MW531.68 g/mol
LogP5.79
Rot. Bonds6

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

6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 155545589) has the molecular formula C30H33N3O4S and a molecular weight of 531.68 g/mol. Its IUPAC name is 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID155545589
Molecular FormulaC30H33N3O4S
Molecular Weight531.68 g/mol
Exact Mass531.22
IUPAC Name6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C(C)(C)C)cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C30H33N3O4S/c1-30(2,3)24-8-10-25(11-9-24)38(34,35)33-16-14-21(15-17-33)23-7-13-29-31-26(20-32(29)19-23)22-6-12-27(36-4)28(18-22)37-5/h6-14,18-20H,15-17H2,1-5H3
InChIKeyODEGCURHPXPGTB-UHFFFAOYSA-N
XLogP5.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.68
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (CID 155545589) is 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C(C)(C)C)cc5)CC4)ccc3n2)cc1OC.
What is the InChIKey of 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is ODEGCURHPXPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S/c1-30(2,3)24-8-10-25(11-9-24)38(34,35)33-16-14-21(15-17-33)23-7-13-29-31-26(20-32(29)19-23)22-6-12-27(36-4)28(18-22)37-5/h6-14,18-20H,15-17H2,1-5H3.
What are the key properties of 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 531.68 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155545589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).