4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide

C22H20F3N7O — CID 118538813

IUPAC4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4CC(F)(F)CN4)cn3n2)n1C
InChIInChI=1S/C22H20F3N7O/c1-12-27-19(13-3-5-14(23)6-4-13)20(31(12)2)15-7-8-18-28-17(10-32(18)30-15)29-21(33)16-9-22(24,25)11-26-16/h3-8,10,16,26H,9,11H2,1-2H3,(H,29,33)
InChIKeyZAPQICRHAIUNRM-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.18
Rot. Bonds4

About 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 118538813) has the molecular formula C22H20F3N7O and a molecular weight of 455.44 g/mol. Its IUPAC name is 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID118538813
Molecular FormulaC22H20F3N7O
Molecular Weight455.44 g/mol
Exact Mass455.17
IUPAC Name4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4CC(F)(F)CN4)cn3n2)n1C
InChIInChI=1S/C22H20F3N7O/c1-12-27-19(13-3-5-14(23)6-4-13)20(31(12)2)15-7-8-18-28-17(10-32(18)30-15)29-21(33)16-9-22(24,25)11-26-16/h3-8,10,16,26H,9,11H2,1-2H3,(H,29,33)
InChIKeyZAPQICRHAIUNRM-UHFFFAOYSA-N
XLogP3.18
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 90246106
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-2-carboxamide
CID 118538650
6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide
CID 118538742
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide
CID 118538840
2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538866
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
CID 118538911
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-8-carboxamide
CID 118538808
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 118538790
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90246238
2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanone
CID 147438857
N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 140768639
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 118550842

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide (CID 118538813) is 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4CC(F)(F)CN4)cn3n2)n1C.
What is the InChIKey of 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZAPQICRHAIUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O/c1-12-27-19(13-3-5-14(23)6-4-13)20(31(12)2)15-7-8-18-28-17(10-32(18)30-15)29-21(33)16-9-22(24,25)11-26-16/h3-8,10,16,26H,9,11H2,1-2H3,(H,29,33).
What are the key properties of 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118538813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).