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

C26H24N4O6S — CID 155557911

IUPAC2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C26H24N4O6S/c1-35-24-9-3-19(15-25(24)36-2)23-17-28-16-20(4-10-26(28)27-23)18-11-13-29(14-12-18)37(33,34)22-7-5-21(6-8-22)30(31)32/h3-11,15-17H,12-14H2,1-2H3
InChIKeyPXYHMFJZCLEHFB-UHFFFAOYSA-N
MW520.57 g/mol
LogP4.40
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 155557911) has the molecular formula C26H24N4O6S and a molecular weight of 520.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
PubChem CID155557911
Molecular FormulaC26H24N4O6S
Molecular Weight520.57 g/mol
Exact Mass520.14
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C26H24N4O6S/c1-35-24-9-3-19(15-25(24)36-2)23-17-28-16-20(4-10-26(28)27-23)18-11-13-29(14-12-18)37(33,34)22-7-5-21(6-8-22)30(31)32/h3-11,15-17H,12-14H2,1-2H3
InChIKeyPXYHMFJZCLEHFB-UHFFFAOYSA-N
XLogP4.40
TPSA116.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine (CID 155557911) is 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)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-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine is COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)CC4)ccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is PXYHMFJZCLEHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6S/c1-35-24-9-3-19(15-25(24)36-2)23-17-28-16-20(4-10-26(28)27-23)18-11-13-29(14-12-18)37(33,34)22-7-5-21(6-8-22)30(31)32/h3-11,15-17H,12-14H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine?
2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 520.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-[1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155557911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).