5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine

C76H82F3N23O3 — CID 158578602

About 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine

5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 158578602) has the molecular formula C76H82F3N23O3 and a molecular weight of 1422.64 g/mol. Its IUPAC name is 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine
• PubChem CID: 158578602
• Molecular Formula: C76H82F3N23O3
• Molecular Weight: 1422.64 g/mol
• Exact Mass: 1421.69
• IUPAC Name: 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine
• SMILES: Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCN(C)C)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCn3cccn3)c2n1
• InChI: InChI=1S/C26H27FN8O.C25H25FN8O.C25H30FN7O/c1-17-16-35-26(30-17)25(36-11-3-10-34-9-2-6-29-34)15-23(33-35)19-12-21(27)20-14-22(31-32-24(20)13-19)18-4-7-28-8-5-18;1-16-15-34-25(29-16)24(35-10-9-33-8-2-5-28-33)14-22(32-34)18-11-20(26)19-13-21(30-31-23(19)12-18)17-3-6-27-7-4-17;1-16-15-33-25(28-16)24(34-10-4-9-32(2)3)14-22(31-33)18-11-20(26)19-13-21(29-30-23(19)12-18)17-5-7-27-8-6-17/h2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3;2,5,8,11-15,17,27H,3-4,6-7,9-10H2,1H3;11-15,17,27H,4-10H2,1-3H3
• InChIKey: HSYVIRFXKSFZSB-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 270.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1422.64
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine?

The IUPAC name of 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine (CID 158578602) is 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine?

The canonical SMILES for 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine is Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCN(C)C)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCn3cccn3)c2n1.

What is the InChIKey of 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine?

The InChIKey is HSYVIRFXKSFZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O.C25H25FN8O.C25H30FN7O/c1-17-16-35-26(30-17)25(36-11-3-10-34-9-2-6-29-34)15-23(33-35)19-12-21(27)20-14-22(31-32-24(20)13-19)18-4-7-28-8-5-18;1-16-15-34-25(29-16)24(35-10-9-33-8-2-5-28-33)14-22(32-34)18-11-20(26)19-13-21(30-31-23(19)12-18)17-3-6-27-7-4-17;1-16-15-33-25(28-16)24(34-10-4-9-32(2)3)14-22(31-33)18-11-20(26)19-13-21(29-30-23(19)12-18)17-5-7-27-8-6-17/h2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3;2,5,8,11-15,17,27H,3-4,6-7,9-10H2,1H3;11-15,17,27H,4-10H2,1-3H3.

What are the key properties of 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine?

5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 1422.64 g/mol, XLogP of 11.03, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-7-[2-methyl-8-(2-pyrazol-1-ylethoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline;3-[6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-b]pyridazin-8-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 158578602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).