6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C23H27FN10O — CID 59624327

About 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624327) has the molecular formula C23H27FN10O and a molecular weight of 478.54 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624327
• Molecular Formula: C23H27FN10O
• Molecular Weight: 478.54 g/mol
• Exact Mass: 478.24
• IUPAC Name: 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: Cc1cc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncc4F)cnc23)n(C)n1
• InChI: InChI=1S/C23H27FN10O/c1-13-9-21(33(2)31-13)29-18-10-20(28-15-5-3-14(25)4-6-15)32-34-19(12-27-22(18)34)23(35)30-17-7-8-26-11-16(17)24/h7-12,14-15,29H,3-6,25H2,1-2H3,(H,28,32)(H,26,30,35)
• InChIKey: XZMXTYDGUHDPPG-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 140.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.54
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	4
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 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624327) is 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncc4F)cnc23)n(C)n1.

What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is XZMXTYDGUHDPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN10O/c1-13-9-21(33(2)31-13)29-18-10-20(28-15-5-3-14(25)4-6-15)32-34-19(12-27-22(18)34)23(35)30-17-7-8-26-11-16(17)24/h7-12,14-15,29H,3-6,25H2,1-2H3,(H,28,32)(H,26,30,35).

What are the key properties of 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).