5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide

C26H28N6O4 — CID 155074372

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC(C)C
InChIInChI=1S/C26H28N6O4/c1-16(2)15-36-22-8-6-5-7-18(22)12-27-25(34)20-11-19(13-28-26(20)35-4)21-9-10-24-30-23(29-17(3)33)14-32(24)31-21/h5-11,13-14,16H,12,15H2,1-4H3,(H,27,34)(H,29,33)
InChIKeyLOTAJPJQFJFSIZ-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.72
Rot. Bonds9

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155074372) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID155074372
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC(C)C
InChIInChI=1S/C26H28N6O4/c1-16(2)15-36-22-8-6-5-7-18(22)12-27-25(34)20-11-19(13-28-26(20)35-4)21-9-10-24-30-23(29-17(3)33)14-32(24)31-21/h5-11,13-14,16H,12,15H2,1-4H3,(H,27,34)(H,29,33)
InChIKeyLOTAJPJQFJFSIZ-UHFFFAOYSA-N
XLogP3.72
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide (CID 155074372) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OCC(C)C.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LOTAJPJQFJFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-16(2)15-36-22-8-6-5-7-18(22)12-27-25(34)20-11-19(13-28-26(20)35-4)21-9-10-24-30-23(29-17(3)33)14-32(24)31-21/h5-11,13-14,16H,12,15H2,1-4H3,(H,27,34)(H,29,33).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).