(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

C18H16F3N5O — CID 141143818

IUPAC(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)14-4-2-1-3-13(14)17(27)25-11-9-24(10-12-25)16-6-5-15-22-7-8-26(15)23-16/h1-8H,9-12H2
InChIKeyABNPYNBTHBWIEM-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.71
Rot. Bonds2

About (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 141143818) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID141143818
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C18H16F3N5O/c19-18(20,21)14-4-2-1-3-13(14)17(27)25-11-9-24(10-12-25)16-6-5-15-22-7-8-26(15)23-16/h1-8H,9-12H2
InChIKeyABNPYNBTHBWIEM-UHFFFAOYSA-N
XLogP2.71
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 141143818) is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ABNPYNBTHBWIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c19-18(20,21)14-4-2-1-3-13(14)17(27)25-11-9-24(10-12-25)16-6-5-15-22-7-8-26(15)23-16/h1-8H,9-12H2.
What are the key properties of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone?
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 375.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 141143818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).