6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide

C24H26F2N8O4 — CID 155688371

About 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide

6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide (PubChem CID 155688371) has the molecular formula C24H26F2N8O4 and a molecular weight of 528.52 g/mol. Its IUPAC name is 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide
• PubChem CID: 155688371
• Molecular Formula: C24H26F2N8O4
• Molecular Weight: 528.52 g/mol
• Exact Mass: 528.20
• IUPAC Name: 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide
• SMILES: CN(C(=O)c1ccc(Nc2cc(NC3CCOCC3)nn3c(C#N)cnc23)nc1OCC(F)F)C1COC1
• InChI: InChI=1S/C24H26F2N8O4/c1-33(16-11-37-12-16)24(35)17-2-3-20(31-23(17)38-13-19(25)26)30-18-8-21(29-14-4-6-36-7-5-14)32-34-15(9-27)10-28-22(18)34/h2-3,8,10,14,16,19H,4-7,11-13H2,1H3,(H,29,32)(H,30,31)
• InChIKey: SMQGJVIYWFBNGJ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 138.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.52
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide (CID 155688371) is 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide is CN(C(=O)c1ccc(Nc2cc(NC3CCOCC3)nn3c(C#N)cnc23)nc1OCC(F)F)C1COC1.

What is the InChIKey of 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide?

The InChIKey is SMQGJVIYWFBNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O4/c1-33(16-11-37-12-16)24(35)17-2-3-20(31-23(17)38-13-19(25)26)30-18-8-21(29-14-4-6-36-7-5-14)32-34-15(9-27)10-28-22(18)34/h2-3,8,10,14,16,19H,4-7,11-13H2,1H3,(H,29,32)(H,30,31).

What are the key properties of 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide?

6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide has a molecular weight of 528.52 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-cyano-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-8-yl]amino]-2-(2,2-difluoroethoxy)-N-methyl-N-(oxetan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 155688371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).