N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C15H12FN5O — CID 121114084

IUPACN-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)cc1F
InChIInChI=1S/C15H12FN5O/c1-10-2-3-11(8-12(10)16)18-15(22)13-4-5-14(20-19-13)21-7-6-17-9-21/h2-9H,1H3,(H,18,22)
InChIKeyCXFNOIWAXHPOQW-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.36
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 121114084) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID121114084
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)cc1F
InChIInChI=1S/C15H12FN5O/c1-10-2-3-11(8-12(10)16)18-15(22)13-4-5-14(20-19-13)21-7-6-17-9-21/h2-9H,1H3,(H,18,22)
InChIKeyCXFNOIWAXHPOQW-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
lithium 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 139434655
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791741
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
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
4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 156578791

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 121114084) is N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is CXFNOIWAXHPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c1-10-2-3-11(8-12(10)16)18-15(22)13-4-5-14(20-19-13)21-7-6-17-9-21/h2-9H,1H3,(H,18,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121114084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).