N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide

C19H22N4O3 — CID 16885847

IUPACN-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C19H22N4O3/c1-19(2,3)18(24)21-13-10-12(6-7-15(13)25-4)14-11-23-16(20-14)8-9-17(22-23)26-5/h6-11H,1-5H3,(H,21,24)
InChIKeyGXBBFDDAGIFOCV-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.40
Rot. Bonds4

About N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide

N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 16885847) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID16885847
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C19H22N4O3/c1-19(2,3)18(24)21-13-10-12(6-7-15(13)25-4)14-11-23-16(20-14)8-9-17(22-23)26-5/h6-11H,1-5H3,(H,21,24)
InChIKeyGXBBFDDAGIFOCV-UHFFFAOYSA-N
XLogP3.40
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide (CID 16885847) is N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide is COc1ccc2nc(-c3ccc(OC)c(NC(=O)C(C)(C)C)c3)cn2n1.
What is the InChIKey of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is GXBBFDDAGIFOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(2,3)18(24)21-13-10-12(6-7-15(13)25-4)14-11-23-16(20-14)8-9-17(22-23)26-5/h6-11H,1-5H3,(H,21,24).
What are the key properties of N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 354.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16885847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).