(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C23H24F3N5O2 — CID 118872295

IUPAC(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn2nc(N3CCOCC3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N5O2/c24-23(25,26)18-4-2-1-3-17(18)16-7-9-30(10-8-16)22(32)19-15-31-20(27-19)5-6-21(28-31)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2
InChIKeyCAQAARNODOPZFT-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.60
Rot. Bonds3

About (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 118872295) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID118872295
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC Name(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn2nc(N3CCOCC3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H24F3N5O2/c24-23(25,26)18-4-2-1-3-17(18)16-7-9-30(10-8-16)22(32)19-15-31-20(27-19)5-6-21(28-31)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2
InChIKeyCAQAARNODOPZFT-UHFFFAOYSA-N
XLogP3.60
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 118872295) is (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1cn2nc(N3CCOCC3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is CAQAARNODOPZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c24-23(25,26)18-4-2-1-3-17(18)16-7-9-30(10-8-16)22(32)19-15-31-20(27-19)5-6-21(28-31)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2.
What are the key properties of (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 459.47 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118872295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).