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

C26H20FN9O — CID 118538825

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(-n5cccn5)nc4)cn3n2)n1C
InChIInChI=1S/C26H20FN9O/c1-16-30-24(17-4-7-19(27)8-5-17)25(34(16)2)20-9-11-23-31-21(15-36(23)33-20)32-26(37)18-6-10-22(28-14-18)35-13-3-12-29-35/h3-15H,1-2H3,(H,32,37)
InChIKeyHEUNZXLXXNMAEZ-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.08
Rot. Bonds5

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 118538825) has the molecular formula C26H20FN9O and a molecular weight of 493.51 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID118538825
Molecular FormulaC26H20FN9O
Molecular Weight493.51 g/mol
Exact Mass493.18
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(-n5cccn5)nc4)cn3n2)n1C
InChIInChI=1S/C26H20FN9O/c1-16-30-24(17-4-7-19(27)8-5-17)25(34(16)2)20-9-11-23-31-21(15-36(23)33-20)32-26(37)18-6-10-22(28-14-18)35-13-3-12-29-35/h3-15H,1-2H3,(H,32,37)
InChIKeyHEUNZXLXXNMAEZ-UHFFFAOYSA-N
XLogP4.08
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 118538825) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(-n5cccn5)nc4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is HEUNZXLXXNMAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN9O/c1-16-30-24(17-4-7-19(27)8-5-17)25(34(16)2)20-9-11-23-31-21(15-36(23)33-20)32-26(37)18-6-10-22(28-14-18)35-13-3-12-29-35/h3-15H,1-2H3,(H,32,37).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 118538825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).