N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide

C30H22N4OS — CID 10552957

IUPACN-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide
SMILESO=C(NCc1c(-c2ccc3ccccc3c2)nc2ccc(Sc3ccccc3)nn12)c1ccccc1
InChIInChI=1S/C30H22N4OS/c35-30(22-10-3-1-4-11-22)31-20-26-29(24-16-15-21-9-7-8-12-23(21)19-24)32-27-17-18-28(33-34(26)27)36-25-13-5-2-6-14-25/h1-19H,20H2,(H,31,35)
InChIKeyYXWMOLKWOJHLMF-UHFFFAOYSA-N
MW486.60 g/mol
LogP6.63
Rot. Bonds6

About N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide

N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide (PubChem CID 10552957) has the molecular formula C30H22N4OS and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide
PubChem CID10552957
Molecular FormulaC30H22N4OS
Molecular Weight486.60 g/mol
Exact Mass486.15
IUPAC NameN-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide
SMILESO=C(NCc1c(-c2ccc3ccccc3c2)nc2ccc(Sc3ccccc3)nn12)c1ccccc1
InChIInChI=1S/C30H22N4OS/c35-30(22-10-3-1-4-11-22)31-20-26-29(24-16-15-21-9-7-8-12-23(21)19-24)32-27-17-18-28(33-34(26)27)36-25-13-5-2-6-14-25/h1-19H,20H2,(H,31,35)
InChIKeyYXWMOLKWOJHLMF-UHFFFAOYSA-N
XLogP6.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 10320493
N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 24753241
N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 59445308
N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 10026023
N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
CID 24753236
N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide
CID 24944594
N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 11743772
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
CID 10707880
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323693
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111

Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide?
The IUPAC name of N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide (CID 10552957) is N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide is O=C(NCc1c(-c2ccc3ccccc3c2)nc2ccc(Sc3ccccc3)nn12)c1ccccc1.
What is the InChIKey of N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide?
The InChIKey is YXWMOLKWOJHLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4OS/c35-30(22-10-3-1-4-11-22)31-20-26-29(24-16-15-21-9-7-8-12-23(21)19-24)32-27-17-18-28(33-34(26)27)36-25-13-5-2-6-14-25/h1-19H,20H2,(H,31,35).
What are the key properties of N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide?
N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide has a molecular weight of 486.60 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide is sourced from PubChem (CID 10552957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).