4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide

C22H23ClN4O2 — CID 91280073

IUPAC4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(C(=O)c2cnc3ccc(Cl)nn23)cc1
InChIInChI=1S/C22H23ClN4O2/c23-19-10-11-20-25-14-18(27(20)26-19)21(28)16-6-8-17(9-7-16)22(29)24-13-12-15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,24,29)
InChIKeyXRKSFFMFDWENMF-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.31
Rot. Bonds6

About 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide

4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide (PubChem CID 91280073) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide
PubChem CID91280073
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide
SMILESO=C(NCCC1CCCCC1)c1ccc(C(=O)c2cnc3ccc(Cl)nn23)cc1
InChIInChI=1S/C22H23ClN4O2/c23-19-10-11-20-25-14-18(27(20)26-19)21(28)16-6-8-17(9-7-16)22(29)24-13-12-15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,24,29)
InChIKeyXRKSFFMFDWENMF-UHFFFAOYSA-N
XLogP4.31
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide?
The IUPAC name of 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide (CID 91280073) is 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide?
The canonical SMILES for 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide is O=C(NCCC1CCCCC1)c1ccc(C(=O)c2cnc3ccc(Cl)nn23)cc1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide?
The InChIKey is XRKSFFMFDWENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-19-10-11-20-25-14-18(27(20)26-19)21(28)16-6-8-17(9-7-16)22(29)24-13-12-15-4-2-1-3-5-15/h6-11,14-15H,1-5,12-13H2,(H,24,29).
What are the key properties of 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide?
4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide has a molecular weight of 410.91 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-(2-cyclohexylethyl)benzamide is sourced from PubChem (CID 91280073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).