imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H28N8O4 — CID 122672765

About imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122672765) has the molecular formula C29H28N8O4 and a molecular weight of 552.60 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 122672765
• Molecular Formula: C29H28N8O4
• Molecular Weight: 552.60 g/mol
• Exact Mass: 552.22
• IUPAC Name: imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CCC2(CC1)CCN(c1ccccc1)C2=O)c1cnn2cccnc12.O=C(O)c1cnc2cccnn12
• InChI: InChI=1S/C22H23N5O2.C7H5N3O2/c28-20(18-15-24-27-13-4-12-23-19(18)27)25-16-7-9-22(10-8-16)11-14-26(21(22)29)17-5-2-1-3-6-17;11-7(12)5-4-8-6-2-1-3-9-10(5)6/h1-6,12-13,15-16H,7-11,14H2,(H,25,28);1-4H,(H,11,12)
• InChIKey: SMQGGMJGWFEFEA-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 147.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.60
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122672765) is imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCC2(CC1)CCN(c1ccccc1)C2=O)c1cnn2cccnc12.O=C(O)c1cnc2cccnn12.

What is the InChIKey of imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SMQGGMJGWFEFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C7H5N3O2/c28-20(18-15-24-27-13-4-12-23-19(18)27)25-16-7-9-22(10-8-16)11-14-26(21(22)29)17-5-2-1-3-6-17;11-7(12)5-4-8-6-2-1-3-9-10(5)6/h1-6,12-13,15-16H,7-11,14H2,(H,25,28);1-4H,(H,11,12).

What are the key properties of imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 552.60 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for imidazo[1,2-b]pyridazine-3-carboxylic acid;N-(1-oxo-2-phenyl-2-azaspiro[4.5]decan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122672765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).