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

C22H19F3N6O — CID 123547440

IUPAC(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn2nc(-n3ccnc3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)17-4-2-1-3-16(17)15-7-10-29(11-8-15)21(32)18-13-31-19(27-18)5-6-20(28-31)30-12-9-26-14-30/h1-6,9,12-15H,7-8,10-11H2
InChIKeySIYZJHUXJLRIGC-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.95
Rot. Bonds3

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

(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 123547440) has the molecular formula C22H19F3N6O and a molecular weight of 440.43 g/mol. Its IUPAC name is (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID123547440
Molecular FormulaC22H19F3N6O
Molecular Weight440.43 g/mol
Exact Mass440.16
IUPAC Name(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn2nc(-n3ccnc3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C22H19F3N6O/c23-22(24,25)17-4-2-1-3-16(17)15-7-10-29(11-8-15)21(32)18-13-31-19(27-18)5-6-20(28-31)30-12-9-26-14-30/h1-6,9,12-15H,7-8,10-11H2
InChIKeySIYZJHUXJLRIGC-UHFFFAOYSA-N
XLogP3.95
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 123547440) is (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1cn2nc(-n3ccnc3)ccc2n1)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is SIYZJHUXJLRIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O/c23-22(24,25)17-4-2-1-3-16(17)15-7-10-29(11-8-15)21(32)18-13-31-19(27-18)5-6-20(28-31)30-12-9-26-14-30/h1-6,9,12-15H,7-8,10-11H2.
What are the key properties of (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 440.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123547440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).