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

C23H19FN8O — CID 118538866

IUPAC2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)n1C
InChIInChI=1S/C23H19FN8O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H2,25,26)(H,29,33)
InChIKeyFMYYIUGFRKTDAM-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.47
Rot. Bonds4

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

2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538866) has the molecular formula C23H19FN8O and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538866
Molecular FormulaC23H19FN8O
Molecular Weight442.46 g/mol
Exact Mass442.17
IUPAC Name2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)n1C
InChIInChI=1S/C23H19FN8O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H2,25,26)(H,29,33)
InChIKeyFMYYIUGFRKTDAM-UHFFFAOYSA-N
XLogP3.47
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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]pyrimidine-2-carboxamide
CID 118538650
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]isoquinoline-6-carboxamide
CID 118538840
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-8-carboxamide
CID 118538808
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]-2-pyridin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90246238
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
CID 118538911
2-fluoro-N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241795
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538943
N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide
CID 118538710
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538866) is 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)n1C.
What is the InChIKey of 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is FMYYIUGFRKTDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H2,25,26)(H,29,33).
What are the key properties of 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).