6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine

C16H17FN6O — CID 154575369

IUPAC6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESFc1cncnc1N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C16H17FN6O/c17-13-9-18-11-20-16(13)22-6-3-12(4-7-22)10-24-15-2-1-14-19-5-8-23(14)21-15/h1-2,5,8-9,11-12H,3-4,6-7,10H2
InChIKeyXLPXWZNIBDWMTJ-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.95
Rot. Bonds4

About 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine

6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (PubChem CID 154575369) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
PubChem CID154575369
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESFc1cncnc1N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C16H17FN6O/c17-13-9-18-11-20-16(13)22-6-3-12(4-7-22)10-24-15-2-1-14-19-5-8-23(14)21-15/h1-2,5,8-9,11-12H,3-4,6-7,10H2
InChIKeyXLPXWZNIBDWMTJ-UHFFFAOYSA-N
XLogP1.95
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine (CID 154575369) is 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is Fc1cncnc1N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is XLPXWZNIBDWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c17-13-9-18-11-20-16(13)22-6-3-12(4-7-22)10-24-15-2-1-14-19-5-8-23(14)21-15/h1-2,5,8-9,11-12H,3-4,6-7,10H2.
What are the key properties of 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine?
6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 328.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 154575369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).