(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine

C26H23N7O3 — CID 71625820

IUPAC(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine
SMILESCc1ccc(-c2nc3c(C)cccn3c2/C=N/OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1
InChIInChI=1S/C26H23N7O3/c1-18-5-9-21(10-6-18)25-24(32-13-3-4-19(2)26(32)28-25)14-27-36-17-22-16-31(30-29-22)15-20-7-11-23(12-8-20)33(34)35/h3-14,16H,15,17H2,1-2H3/b27-14+
InChIKeyVIEWONYVTBAZLN-MZJWZYIUSA-N
MW481.52 g/mol
LogP4.72
Rot. Bonds8

About (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine

(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine (PubChem CID 71625820) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine
PubChem CID71625820
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine
SMILESCc1ccc(-c2nc3c(C)cccn3c2/C=N/OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1
InChIInChI=1S/C26H23N7O3/c1-18-5-9-21(10-6-18)25-24(32-13-3-4-19(2)26(32)28-25)14-27-36-17-22-16-31(30-29-22)15-20-7-11-23(12-8-20)33(34)35/h3-14,16H,15,17H2,1-2H3/b27-14+
InChIKeyVIEWONYVTBAZLN-MZJWZYIUSA-N
XLogP4.72
TPSA112.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine?
The IUPAC name of (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine (CID 71625820) is (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine.
What is the SMILES notation for (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine?
The canonical SMILES for (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine is Cc1ccc(-c2nc3c(C)cccn3c2/C=N/OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1.
What is the InChIKey of (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine?
The InChIKey is VIEWONYVTBAZLN-MZJWZYIUSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-18-5-9-21(10-6-18)25-24(32-13-3-4-19(2)26(32)28-25)14-27-36-17-22-16-31(30-29-22)15-20-7-11-23(12-8-20)33(34)35/h3-14,16H,15,17H2,1-2H3/b27-14+.
What are the key properties of (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine?
(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine has a molecular weight of 481.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine is sourced from PubChem (CID 71625820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).