N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

C25H26N4OS — CID 10320493

IUPACN-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
SMILESCCCSc1ccc2nc(-c3ccc(C)c(C)c3)c(CNC(=O)c3ccccc3)n2n1
InChIInChI=1S/C25H26N4OS/c1-4-14-31-23-13-12-22-27-24(20-11-10-17(2)18(3)15-20)21(29(22)28-23)16-26-25(30)19-8-6-5-7-9-19/h5-13,15H,4,14,16H2,1-3H3,(H,26,30)
InChIKeyFJFAVOMGVGGABW-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.45
Rot. Bonds7

About N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide (PubChem CID 10320493) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
PubChem CID10320493
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC NameN-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
SMILESCCCSc1ccc2nc(-c3ccc(C)c(C)c3)c(CNC(=O)c3ccccc3)n2n1
InChIInChI=1S/C25H26N4OS/c1-4-14-31-23-13-12-22-27-24(20-11-10-17(2)18(3)15-20)21(29(22)28-23)16-26-25(30)19-8-6-5-7-9-19/h5-13,15H,4,14,16H2,1-3H3,(H,26,30)
InChIKeyFJFAVOMGVGGABW-UHFFFAOYSA-N
XLogP5.45
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide
CID 10552957
N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 59445308
N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 24753241
N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
CID 24753236
2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
CID 10040299
N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 10026023
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
CID 10707880
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 11743772
N-[2-[6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 18562812
N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
CID 53163379

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
The IUPAC name of N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide (CID 10320493) is N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide is CCCSc1ccc2nc(-c3ccc(C)c(C)c3)c(CNC(=O)c3ccccc3)n2n1.
What is the InChIKey of N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
The InChIKey is FJFAVOMGVGGABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-4-14-31-23-13-12-22-27-24(20-11-10-17(2)18(3)15-20)21(29(22)28-23)16-26-25(30)19-8-6-5-7-9-19/h5-13,15H,4,14,16H2,1-3H3,(H,26,30).
What are the key properties of N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide has a molecular weight of 430.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide is sourced from PubChem (CID 10320493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).