N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide

C24H22ClFN4O — CID 11743772

IUPACN-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H22ClFN4O/c1-24(2,3)16-10-8-15(9-11-16)22-19(30-21(28-22)13-12-20(25)29-30)14-27-23(31)17-6-4-5-7-18(17)26/h4-13H,14H2,1-3H3,(H,27,31)
InChIKeyNNMWDINEMMKLRB-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.42
Rot. Bonds4

About N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide

N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide (PubChem CID 11743772) has the molecular formula C24H22ClFN4O and a molecular weight of 436.92 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
PubChem CID11743772
Molecular FormulaC24H22ClFN4O
Molecular Weight436.92 g/mol
Exact Mass436.15
IUPAC NameN-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H22ClFN4O/c1-24(2,3)16-10-8-15(9-11-16)22-19(30-21(28-22)13-12-20(25)29-30)14-27-23(31)17-6-4-5-7-18(17)26/h4-13H,14H2,1-3H3,(H,27,31)
InChIKeyNNMWDINEMMKLRB-UHFFFAOYSA-N
XLogP5.42
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 59445308
N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
CID 24753236
N-[[2-(1,3-benzodioxol-5-yl)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 10026023
(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
CID 24754065
N-[(6-chloro-4-methyl-2-pyridinyl)methyl]-2,3-difluorobenzamide
CID 100730621
N-[(6-methyl-2-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]acetamide
CID 10707880
N-[(2-naphthalen-2-yl-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl)methyl]benzamide
CID 10552957
N-[[2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 24753241
N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide
CID 24944594
[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide
CID 10623951
N-[[2-(2-chlorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]-2-fluorobenzamide
CID 50777925
N-[[2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
CID 10320493

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide (CID 11743772) is N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide is CC(C)(C)c1ccc(-c2nc3ccc(Cl)nn3c2CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
The InChIKey is NNMWDINEMMKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O/c1-24(2,3)16-10-8-15(9-11-16)22-19(30-21(28-22)13-12-20(25)29-30)14-27-23(31)17-6-4-5-7-18(17)26/h4-13H,14H2,1-3H3,(H,27,31).
What are the key properties of N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide?
N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide has a molecular weight of 436.92 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 11743772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).