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

C19H23FN6O — CID 154582621

IUPAC6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine
SMILESCCc1ncnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)c1F
InChIInChI=1S/C19H23FN6O/c1-3-15-18(20)19(22-12-21-15)25-8-6-14(7-9-25)11-27-17-5-4-16-23-13(2)10-26(16)24-17/h4-5,10,12,14H,3,6-9,11H2,1-2H3
InChIKeyCUHWWMCLIHZIBD-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.82
Rot. Bonds5

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

6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine (PubChem CID 154582621) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine
PubChem CID154582621
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine
SMILESCCc1ncnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)c1F
InChIInChI=1S/C19H23FN6O/c1-3-15-18(20)19(22-12-21-15)25-8-6-14(7-9-25)11-27-17-5-4-16-23-13(2)10-26(16)24-17/h4-5,10,12,14H,3,6-9,11H2,1-2H3
InChIKeyCUHWWMCLIHZIBD-UHFFFAOYSA-N
XLogP2.82
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine (CID 154582621) is 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine is CCc1ncnc(N2CCC(COc3ccc4nc(C)cn4n3)CC2)c1F.
What is the InChIKey of 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is CUHWWMCLIHZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-3-15-18(20)19(22-12-21-15)25-8-6-14(7-9-25)11-27-17-5-4-16-23-13(2)10-26(16)24-17/h4-5,10,12,14H,3,6-9,11H2,1-2H3.
What are the key properties of 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine?
6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 370.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methoxy]-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 154582621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).