2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide

C21H18N4O2 — CID 118712381

IUPAC2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
InChIInChI=1S/C21H18N4O2/c1-15-4-2-6-17(12-15)23-20(26)14-16-5-3-7-18(13-16)27-21-9-8-19-22-10-11-25(19)24-21/h2-13H,14H2,1H3,(H,23,26)
InChIKeyPLTDPWLVCBHHRX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.01
Rot. Bonds5

About 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide

2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide (PubChem CID 118712381) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide
PubChem CID118712381
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1
InChIInChI=1S/C21H18N4O2/c1-15-4-2-6-17(12-15)23-20(26)14-16-5-3-7-18(13-16)27-21-9-8-19-22-10-11-25(19)24-21/h2-13H,14H2,1H3,(H,23,26)
InChIKeyPLTDPWLVCBHHRX-UHFFFAOYSA-N
XLogP4.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide (CID 118712381) is 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2cccc(Oc3ccc4nccn4n3)c2)c1.
What is the InChIKey of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide?
The InChIKey is PLTDPWLVCBHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15-4-2-6-17(12-15)23-20(26)14-16-5-3-7-18(13-16)27-21-9-8-19-22-10-11-25(19)24-21/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide?
2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 118712381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).