ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C18H17N3O4 — CID 135800764

IUPACethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]c(O)c(/C=N/c3ccccc3OC)c2c1
InChIInChI=1S/C18H17N3O4/c1-3-25-18(23)11-8-12-13(17(22)21-16(12)20-9-11)10-19-14-6-4-5-7-15(14)24-2/h4-10,22H,3H2,1-2H3,(H,20,21)/b19-10+
InChIKeyADYQSUFNQFAUCY-VXLYETTFSA-N
MW339.35 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 135800764) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID135800764
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]c(O)c(/C=N/c3ccccc3OC)c2c1
InChIInChI=1S/C18H17N3O4/c1-3-25-18(23)11-8-12-13(17(22)21-16(12)20-9-11)10-19-14-6-4-5-7-15(14)24-2/h4-10,22H,3H2,1-2H3,(H,20,21)/b19-10+
InChIKeyADYQSUFNQFAUCY-VXLYETTFSA-N
XLogP3.20
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 135800763
ethyl 2-hydroxy-3-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 135804117
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
ethyl 8-methoxy-9H-pyrido[2,3-b]indole-6-carboxylate
CID 135059817
2-[6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-3-sulfoquinolin-7-yl]oxyacetic acid
CID 137270372
ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 135657427
ethyl 5-hydroxyquinoline-3-carboxylate
CID 135618214
ethyl 2-[3-hydroxy-4-[(2-methoxyphenyl)iminomethyl]-1-oxoisoquinolin-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2390028
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 137006345
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153
6-(furan-2-yl)-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135581614

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 135800764) is ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2[nH]c(O)c(/C=N/c3ccccc3OC)c2c1.
What is the InChIKey of ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is ADYQSUFNQFAUCY-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-25-18(23)11-8-12-13(17(22)21-16(12)20-9-11)10-19-14-6-4-5-7-15(14)24-2/h4-10,22H,3H2,1-2H3,(H,20,21)/b19-10+.
What are the key properties of ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 135800764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).