5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline

C26H27FN8O — CID 142492339

IUPAC5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1
InChIInChI=1S/C26H27FN8O/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/h2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3
InChIKeyVFOMJFHKDMOLOU-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.92
Rot. Bonds7

About 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)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 (PubChem CID 142492339) has the molecular formula C26H27FN8O and a molecular weight of 486.56 g/mol. Its IUPAC name is 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline.

Molecular Properties

Compound Name5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
PubChem CID142492339
Molecular FormulaC26H27FN8O
Molecular Weight486.56 g/mol
Exact Mass486.23
IUPAC Name5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline
SMILESCc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1
InChIInChI=1S/C26H27FN8O/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/h2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3
InChIKeyVFOMJFHKDMOLOU-UHFFFAOYSA-N
XLogP3.92
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline?
The IUPAC name of 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline (CID 142492339) is 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline.
What is the SMILES notation for 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline?
The canonical SMILES for 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline is Cc1cn2nc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)cc(OCCCn3cccn3)c2n1.
What is the InChIKey of 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline?
The InChIKey is VFOMJFHKDMOLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O/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/h2,6,9,12-16,18,28H,3-5,7-8,10-11H2,1H3.
What are the key properties of 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)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 has a molecular weight of 486.56 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[2-methyl-8-(3-pyrazol-1-ylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-3-piperidin-4-ylcinnoline is sourced from PubChem (CID 142492339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).