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

C27H27N3O4S — CID 155515423

IUPAC2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C27H27N3O4S/c1-19-4-8-23(9-5-19)35(31,32)30-14-12-20(13-15-30)22-7-11-27-28-24(18-29(27)17-22)21-6-10-25(33-2)26(16-21)34-3/h4-12,16-18H,13-15H2,1-3H3
InChIKeyPQUKTQLPFZMKLZ-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.80
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 155515423) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
PubChem CID155515423
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C27H27N3O4S/c1-19-4-8-23(9-5-19)35(31,32)30-14-12-20(13-15-30)22-7-11-27-28-24(18-29(27)17-22)21-6-10-25(33-2)26(16-21)34-3/h4-12,16-18H,13-15H2,1-3H3
InChIKeyPQUKTQLPFZMKLZ-UHFFFAOYSA-N
XLogP4.80
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine (CID 155515423) is 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine is COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is PQUKTQLPFZMKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-19-4-8-23(9-5-19)35(31,32)30-14-12-20(13-15-30)22-7-11-27-28-24(18-29(27)17-22)21-6-10-25(33-2)26(16-21)34-3/h4-12,16-18H,13-15H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 489.60 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155515423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).