N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide

C23H23N5O3S — CID 59175501

About N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide

N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide (PubChem CID 59175501) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
• PubChem CID: 59175501
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)Nc1cn2nc(Oc3cccc(NC(=O)C(C)(C)C)c3)ccc2n1
• InChI: InChI=1S/C23H23N5O3S/c1-14-10-11-32-20(14)21(29)26-17-13-28-18(25-17)8-9-19(27-28)31-16-7-5-6-15(12-16)24-22(30)23(2,3)4/h5-13H,1-4H3,(H,24,30)(H,26,29)
• InChIKey: PIKHDUZXDIYFBI-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?

The IUPAC name of N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide (CID 59175501) is N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cn2nc(Oc3cccc(NC(=O)C(C)(C)C)c3)ccc2n1.

What is the InChIKey of N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?

The InChIKey is PIKHDUZXDIYFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14-10-11-32-20(14)21(29)26-17-13-28-18(25-17)8-9-19(27-28)31-16-7-5-6-15(12-16)24-22(30)23(2,3)4/h5-13H,1-4H3,(H,24,30)(H,26,29).

What are the key properties of N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide?

N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(2,2-dimethylpropanoylamino)phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 59175501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).