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

C25H17FN8OS — CID 90246100

IUPACN-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCSc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nc(NC(=O)c5ccncc5)cn4n3)n2n1
InChIInChI=1S/C25H17FN8OS/c1-36-22-9-8-21-30-23(15-2-4-17(26)5-3-15)24(34(21)32-22)18-6-7-20-28-19(14-33(20)31-18)29-25(35)16-10-12-27-13-11-16/h2-14H,1H3,(H,29,35)
InChIKeyGXTGKARBBFEKIN-UHFFFAOYSA-N
MW496.53 g/mol
LogP4.61
Rot. Bonds5

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

N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 90246100) has the molecular formula C25H17FN8OS and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID90246100
Molecular FormulaC25H17FN8OS
Molecular Weight496.53 g/mol
Exact Mass496.12
IUPAC NameN-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCSc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nc(NC(=O)c5ccncc5)cn4n3)n2n1
InChIInChI=1S/C25H17FN8OS/c1-36-22-9-8-21-30-23(15-2-4-17(26)5-3-15)24(34(21)32-22)18-6-7-20-28-19(14-33(20)31-18)29-25(35)16-10-12-27-13-11-16/h2-14H,1H3,(H,29,35)
InChIKeyGXTGKARBBFEKIN-UHFFFAOYSA-N
XLogP4.61
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538978
N-[6-[5-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 123536581
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-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241491
2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone
CID 146928238
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
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
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrazole-5-carboxamide
CID 118538920
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-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538943

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 90246100) is N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is CSc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nc(NC(=O)c5ccncc5)cn4n3)n2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is GXTGKARBBFEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8OS/c1-36-22-9-8-21-30-23(15-2-4-17(26)5-3-15)24(34(21)32-22)18-6-7-20-28-19(14-33(20)31-18)29-25(35)16-10-12-27-13-11-16/h2-14H,1H3,(H,29,35).
What are the key properties of N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 90246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).