N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide

C19H21ClN4O — CID 86667863

IUPACN-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(-c2cn3nc(Cl)ccc3n2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H21ClN4O/c1-5-12-6-7-13(10-14(12)22-18(25)19(2,3)4)15-11-24-17(21-15)9-8-16(20)23-24/h6-11H,5H2,1-4H3,(H,22,25)
InChIKeyWIKURAODGCXHPK-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.60
Rot. Bonds3

About N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide

N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide (PubChem CID 86667863) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide
PubChem CID86667863
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide
SMILESCCc1ccc(-c2cn3nc(Cl)ccc3n2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H21ClN4O/c1-5-12-6-7-13(10-14(12)22-18(25)19(2,3)4)15-11-24-17(21-15)9-8-16(20)23-24/h6-11H,5H2,1-4H3,(H,22,25)
InChIKeyWIKURAODGCXHPK-UHFFFAOYSA-N
XLogP4.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide (CID 86667863) is N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide is CCc1ccc(-c2cn3nc(Cl)ccc3n2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide?
The InChIKey is WIKURAODGCXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-5-12-6-7-13(10-14(12)22-18(25)19(2,3)4)15-11-24-17(21-15)9-8-16(20)23-24/h6-11H,5H2,1-4H3,(H,22,25).
What are the key properties of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide?
N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide has a molecular weight of 356.86 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-ethylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86667863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).