6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15BrN4O3 — CID 135472793

IUPAC6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1O
InChIInChI=1S/C17H15BrN4O3/c1-10-15(22-9-12(18)6-7-14(22)20-10)17(24)21-19-8-11-4-3-5-13(25-2)16(11)23/h3-9,23H,1-2H3,(H,21,24)/b19-8+
InChIKeyFDNICFQJVPCJJP-UFWORHAWSA-N
MW403.24 g/mol
LogP2.88
Rot. Bonds4

About 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135472793) has the molecular formula C17H15BrN4O3 and a molecular weight of 403.24 g/mol. Its IUPAC name is 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135472793
Molecular FormulaC17H15BrN4O3
Molecular Weight403.24 g/mol
Exact Mass402.03
IUPAC Name6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1O
InChIInChI=1S/C17H15BrN4O3/c1-10-15(22-9-12(18)6-7-14(22)20-10)17(24)21-19-8-11-4-3-5-13(25-2)16(11)23/h3-9,23H,1-2H3,(H,21,24)/b19-8+
InChIKeyFDNICFQJVPCJJP-UFWORHAWSA-N
XLogP2.88
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 135472793) is 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1O.
What is the InChIKey of 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FDNICFQJVPCJJP-UFWORHAWSA-N. The full InChI is InChI=1S/C17H15BrN4O3/c1-10-15(22-9-12(18)6-7-14(22)20-10)17(24)21-19-8-11-4-3-5-13(25-2)16(11)23/h3-9,23H,1-2H3,(H,21,24)/b19-8+.
What are the key properties of 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 403.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135472793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).