4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine

C18H18F3N5O2 — CID 67175402

IUPAC4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N5O2/c1-12-16(13-2-3-15(22-10-13)28-11-18(19,20)21)26-17(24-12)14(4-5-23-26)25-6-8-27-9-7-25/h2-5,10H,6-9,11H2,1H3
InChIKeyZLQBJFUEBFSBEY-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 67175402) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID67175402
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N5O2/c1-12-16(13-2-3-15(22-10-13)28-11-18(19,20)21)26-17(24-12)14(4-5-23-26)25-6-8-27-9-7-25/h2-5,10H,6-9,11H2,1H3
InChIKeyZLQBJFUEBFSBEY-UHFFFAOYSA-N
XLogP2.88
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 67175402) is 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine is Cc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is ZLQBJFUEBFSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-12-16(13-2-3-15(22-10-13)28-11-18(19,20)21)26-17(24-12)14(4-5-23-26)25-6-8-27-9-7-25/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 393.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 67175402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).