N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

C24H23BrN4O — CID 59445308

IUPACN-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(Br)nn3c2CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23BrN4O/c1-24(2,3)18-11-9-16(10-12-18)22-19(29-21(27-22)14-13-20(25)28-29)15-26-23(30)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,26,30)
InChIKeyNXUOWZGBBCKXLV-UHFFFAOYSA-N
MW463.38 g/mol
LogP5.39
Rot. Bonds4

About N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide

N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide (PubChem CID 59445308) has the molecular formula C24H23BrN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
PubChem CID59445308
Molecular FormulaC24H23BrN4O
Molecular Weight463.38 g/mol
Exact Mass462.11
IUPAC NameN-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(Br)nn3c2CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23BrN4O/c1-24(2,3)18-11-9-16(10-12-18)22-19(29-21(27-22)14-13-20(25)28-29)15-26-23(30)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,26,30)
InChIKeyNXUOWZGBBCKXLV-UHFFFAOYSA-N
XLogP5.39
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
The IUPAC name of N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide (CID 59445308) is N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide is CC(C)(C)c1ccc(-c2nc3ccc(Br)nn3c2CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
The InChIKey is NXUOWZGBBCKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O/c1-24(2,3)18-11-9-16(10-12-18)22-19(29-21(27-22)14-13-20(25)28-29)15-26-23(30)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,26,30).
What are the key properties of N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide?
N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide has a molecular weight of 463.38 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-(4-tert-butylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]benzamide is sourced from PubChem (CID 59445308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).