4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine

C20H19FN6O — CID 154465164

IUPAC4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3n2)c1N1CCOCC1
InChIInChI=1S/C20H19FN6O/c1-25-20(26-10-12-28-13-11-26)18(16-6-7-17-22-8-9-27(17)23-16)19(24-25)14-2-4-15(21)5-3-14/h2-9H,10-13H2,1H3
InChIKeyLGCIRWWBDHQRKL-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.77
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine

4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine (PubChem CID 154465164) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine
PubChem CID154465164
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3n2)c1N1CCOCC1
InChIInChI=1S/C20H19FN6O/c1-25-20(26-10-12-28-13-11-26)18(16-6-7-17-22-8-9-27(17)23-16)19(24-25)14-2-4-15(21)5-3-14/h2-9H,10-13H2,1H3
InChIKeyLGCIRWWBDHQRKL-UHFFFAOYSA-N
XLogP2.77
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine (CID 154465164) is 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine is Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3n2)c1N1CCOCC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine?
The InChIKey is LGCIRWWBDHQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-25-20(26-10-12-28-13-11-26)18(16-6-7-17-22-8-9-27(17)23-16)19(24-25)14-2-4-15(21)5-3-14/h2-9H,10-13H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine?
4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine has a molecular weight of 378.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-yl-1-methylpyrazol-5-yl]morpholine is sourced from PubChem (CID 154465164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).