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

C29H36FN11O — CID 59624662

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

6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624662) has the molecular formula C29H36FN11O and a molecular weight of 573.68 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624662
• Molecular Formula: C29H36FN11O
• Molecular Weight: 573.68 g/mol
• Exact Mass: 573.31
• IUPAC Name: 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: NC1CCC(Nc2cccc(Nc3cc(NC4CCC(N)CC4)nn4c(C(=O)Nc5ccncc5F)cnc34)n2)CC1
• InChI: InChI=1S/C29H36FN11O/c30-21-15-33-13-12-22(21)38-29(42)24-16-34-28-23(14-27(40-41(24)28)36-20-10-6-18(32)7-11-20)37-26-3-1-2-25(39-26)35-19-8-4-17(31)5-9-19/h1-3,12-20H,4-11,31-32H2,(H,36,40)(H,33,38,42)(H2,35,37,39)
• InChIKey: UEDXZYGKYZNPSU-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 173.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	573.68
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	6
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-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624662) is 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cccc(Nc3cc(NC4CCC(N)CC4)nn4c(C(=O)Nc5ccncc5F)cnc34)n2)CC1.

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

The InChIKey is UEDXZYGKYZNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN11O/c30-21-15-33-13-12-22(21)38-29(42)24-16-34-28-23(14-27(40-41(24)28)36-20-10-6-18(32)7-11-20)37-26-3-1-2-25(39-26)35-19-8-4-17(31)5-9-19/h1-3,12-20H,4-11,31-32H2,(H,36,40)(H,33,38,42)(H2,35,37,39).

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

6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 573.68 g/mol, XLogP of 4.02, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).