N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C14H9BrFN5O — CID 71791741

IUPACN-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C14H9BrFN5O/c15-9-1-2-11(10(16)7-9)18-14(22)12-3-4-13(20-19-12)21-6-5-17-8-21/h1-8H,(H,18,22)
InChIKeyCGFXAIMDZUJARH-UHFFFAOYSA-N
MW362.16 g/mol
LogP2.82
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 71791741) has the molecular formula C14H9BrFN5O and a molecular weight of 362.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID71791741
Molecular FormulaC14H9BrFN5O
Molecular Weight362.16 g/mol
Exact Mass361.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C14H9BrFN5O/c15-9-1-2-11(10(16)7-9)18-14(22)12-3-4-13(20-19-12)21-6-5-17-8-21/h1-8H,(H,18,22)
InChIKeyCGFXAIMDZUJARH-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-carboxy-2-fluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]ethyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
CID 167013408
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
lithium 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 139434655
methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
CID 156578854
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid
CID 139444181
methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate
CID 139434633
4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 156578791
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
4-[3-[4-carboxy-2-fluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]phenyl]-2-methylpropyl]-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid
CID 167013439
N-(4-bromo-2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079075
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 71791741) is N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is CGFXAIMDZUJARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN5O/c15-9-1-2-11(10(16)7-9)18-14(22)12-3-4-13(20-19-12)21-6-5-17-8-21/h1-8H,(H,18,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 362.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71791741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).