N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C24H24N8O3 — CID 175758602

About N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 175758602) has the molecular formula C24H24N8O3 and a molecular weight of 475.53 g/mol. Its IUPAC name is N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 175758602
• Molecular Formula: C24H24N8O3
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.22
• IUPAC Name: N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])Nc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC3CC4CCOC43)cnc12
• InChI: InChI=1S/C24H24N8O3/c1-25-17-12-19(28-15-5-4-9-31(24(15)34)20-6-2-3-8-26-20)30-32-18(13-27-22(17)32)23(33)29-16-11-14-7-10-35-21(14)16/h2-6,8-9,12-14,16,21,25H,7,10-11H2,1H3,(H,28,30)(H,29,33)/i1D3
• InChIKey: GFINVCSREJMDPY-FIBGUPNXSA-N
• XLogP: 1.97
• TPSA: 127.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 175758602) is N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide is [2H]C([2H])([2H])Nc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC3CC4CCOC43)cnc12.

What is the InChIKey of N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is GFINVCSREJMDPY-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-25-17-12-19(28-15-5-4-9-31(24(15)34)20-6-2-3-8-26-20)30-32-18(13-27-22(17)32)23(33)29-16-11-14-7-10-35-21(14)16/h2-6,8-9,12-14,16,21,25H,7,10-11H2,1H3,(H,28,30)(H,29,33)/i1D3.

What are the key properties of N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-oxabicyclo[3.2.0]heptan-7-yl)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-8-(trideuteriomethylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 175758602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).