methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate

C25H24N4O6 — CID 40834705

IUPACmethyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)c2c(C)nc3ccccn23)ccc1OCc1ccc(C(=O)OC)o1
InChIInChI=1S/C25H24N4O6/c1-4-33-21-13-17(8-10-19(21)34-15-18-9-11-20(35-18)25(31)32-3)14-26-28-24(30)23-16(2)27-22-7-5-6-12-29(22)23/h5-14H,4,15H2,1-3H3,(H,28,30)/b26-14-
InChIKeyGVPISKCNWSNEIM-WGARJPEWSA-N
MW476.49 g/mol
LogP3.76
Rot. Bonds9

About methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate

methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate (PubChem CID 40834705) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
PubChem CID40834705
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Namemethyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)c2c(C)nc3ccccn23)ccc1OCc1ccc(C(=O)OC)o1
InChIInChI=1S/C25H24N4O6/c1-4-33-21-13-17(8-10-19(21)34-15-18-9-11-20(35-18)25(31)32-3)14-26-28-24(30)23-16(2)27-22-7-5-6-12-29(22)23/h5-14H,4,15H2,1-3H3,(H,28,30)/b26-14-
InChIKeyGVPISKCNWSNEIM-WGARJPEWSA-N
XLogP3.76
TPSA116.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-[(E)-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylate
CID 16553494
methyl 5-[[2-ethoxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
CID 19660225
methyl 5-[(2-ethoxy-4-methanehydrazonoylphenoxy)methyl]furan-2-carboxylate
CID 78678985
methyl 5-[[2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]furan-2-carboxylate
CID 9014367
methyl 5-[[4-[[(2-hydroxy-3-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate
CID 4680787
methyl 5-[[4-[[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylate
CID 3529517
methyl 5-[[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 9015156
methyl 5-[[2-ethoxy-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate
CID 9058526
methyl 5-[[4-[(Z)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylate
CID 44726363
5-[[2-ethoxy-4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 5221643
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126409496
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6181482

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate (CID 40834705) is methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate is CCOc1cc(/C=N\NC(=O)c2c(C)nc3ccccn23)ccc1OCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate?
The InChIKey is GVPISKCNWSNEIM-WGARJPEWSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-4-33-21-13-17(8-10-19(21)34-15-18-9-11-20(35-18)25(31)32-3)14-26-28-24(30)23-16(2)27-22-7-5-6-12-29(22)23/h5-14H,4,15H2,1-3H3,(H,28,30)/b26-14-.
What are the key properties of methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate has a molecular weight of 476.49 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-ethoxy-4-[(Z)-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 40834705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).