4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline

C26H25N3O — CID 156698980

IUPAC4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2cn3ccc(/C=C/C=C/c4ccc(N(C)C)cc4)cc3n2)cc1
InChIInChI=1S/C26H25N3O/c1-28(2)23-12-8-20(9-13-23)6-4-5-7-21-16-17-29-19-25(27-26(29)18-21)22-10-14-24(30-3)15-11-22/h4-19H,1-3H3/b6-4+,7-5+
InChIKeyZIDFAWZFJIAPNH-YDFGWWAZSA-N
MW395.51 g/mol
LogP5.80
Rot. Bonds6

About 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline

4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline (PubChem CID 156698980) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline
PubChem CID156698980
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2cn3ccc(/C=C/C=C/c4ccc(N(C)C)cc4)cc3n2)cc1
InChIInChI=1S/C26H25N3O/c1-28(2)23-12-8-20(9-13-23)6-4-5-7-21-16-17-29-19-25(27-26(29)18-21)22-10-14-24(30-3)15-11-22/h4-19H,1-3H3/b6-4+,7-5+
InChIKeyZIDFAWZFJIAPNH-YDFGWWAZSA-N
XLogP5.80
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-7-[2-(4-phenylphenyl)ethenyl]imidazo[1,2-a]pyridine
CID 91506531
7-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117135502
7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 82064434
2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
CID 165371576
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl(131I)aniline
CID 72720802
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine
CID 122234083
N-ethyl-2-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrimidin-7-amine
CID 86342185
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline (CID 156698980) is 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline is COc1ccc(-c2cn3ccc(/C=C/C=C/c4ccc(N(C)C)cc4)cc3n2)cc1.
What is the InChIKey of 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline?
The InChIKey is ZIDFAWZFJIAPNH-YDFGWWAZSA-N. The full InChI is InChI=1S/C26H25N3O/c1-28(2)23-12-8-20(9-13-23)6-4-5-7-21-16-17-29-19-25(27-26(29)18-21)22-10-14-24(30-3)15-11-22/h4-19H,1-3H3/b6-4+,7-5+.
What are the key properties of 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline?
4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline has a molecular weight of 395.51 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-4-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-7-yl]buta-1,3-dienyl]-N,N-dimethylaniline is sourced from PubChem (CID 156698980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).