methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate

C15H12N6O3 — CID 156578747

IUPACmethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NC(=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H12N6O3/c1-24-15(23)10-4-5-16-8-12(10)18-14(22)11-2-3-13(20-19-11)21-7-6-17-9-21/h2-9H,1H3,(H,18,22)
InChIKeyHSOOKFJXHPSQLO-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.10
Rot. Bonds4

About methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate

methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 156578747) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
PubChem CID156578747
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Namemethyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1NC(=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H12N6O3/c1-24-15(23)10-4-5-16-8-12(10)18-14(22)11-2-3-13(20-19-11)21-7-6-17-9-21/h2-9H,1H3,(H,18,22)
InChIKeyHSOOKFJXHPSQLO-UHFFFAOYSA-N
XLogP1.10
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-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

methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
CID 156578854
methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate
CID 139434633
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-[3-[3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxycarbonylphenyl]propyl]benzoic acid
CID 167013362
methyl 3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
CID 156578941
lithium;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoic acid;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 159498123
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 156578791
methyl 5-cyano-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
CID 158120869
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
6-imidazol-1-yl-N-(2-methoxy-5-nitrophenyl)pyridazine-3-carboxamide
CID 121114108

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate (CID 156578747) is methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate is COC(=O)c1ccncc1NC(=O)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is HSOOKFJXHPSQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c1-24-15(23)10-4-5-16-8-12(10)18-14(22)11-2-3-13(20-19-11)21-7-6-17-9-21/h2-9H,1H3,(H,18,22).
What are the key properties of methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate?
methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 324.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 156578747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).