4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine

C22H20FN5O — CID 146315993

IUPAC4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine
SMILESFc1cnccc1-c1ccc2ncc(-c3ccc(CN4CCOCC4)cc3)n2n1
InChIInChI=1S/C22H20FN5O/c23-19-13-24-8-7-18(19)20-5-6-22-25-14-21(28(22)26-20)17-3-1-16(2-4-17)15-27-9-11-29-12-10-27/h1-8,13-14H,9-12,15H2
InChIKeyZKFGRIHNTMHVJG-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.43
Rot. Bonds4

About 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine

4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine (PubChem CID 146315993) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine
PubChem CID146315993
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine
SMILESFc1cnccc1-c1ccc2ncc(-c3ccc(CN4CCOCC4)cc3)n2n1
InChIInChI=1S/C22H20FN5O/c23-19-13-24-8-7-18(19)20-5-6-22-25-14-21(28(22)26-20)17-3-1-16(2-4-17)15-27-9-11-29-12-10-27/h1-8,13-14H,9-12,15H2
InChIKeyZKFGRIHNTMHVJG-UHFFFAOYSA-N
XLogP3.43
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine (CID 146315993) is 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine is Fc1cnccc1-c1ccc2ncc(-c3ccc(CN4CCOCC4)cc3)n2n1.
What is the InChIKey of 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine?
The InChIKey is ZKFGRIHNTMHVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-19-13-24-8-7-18(19)20-5-6-22-25-14-21(28(22)26-20)17-3-1-16(2-4-17)15-27-9-11-29-12-10-27/h1-8,13-14H,9-12,15H2.
What are the key properties of 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine?
4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine has a molecular weight of 389.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 146315993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).