4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one

C19H24F3N5O — CID 15953075

IUPAC4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N4CCCC4)nn23)C1
InChIInChI=1S/C19H24F3N5O/c1-2-5-13-10-17(28)26(11-13)12-14-18(19(20,21)22)23-15-6-7-16(24-27(14)15)25-8-3-4-9-25/h6-7,13H,2-5,8-12H2,1H3
InChIKeyABEIYJLMHRGYQF-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.50
Rot. Bonds5

About 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one

4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 15953075) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
PubChem CID15953075
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N4CCCC4)nn23)C1
InChIInChI=1S/C19H24F3N5O/c1-2-5-13-10-17(28)26(11-13)12-14-18(19(20,21)22)23-15-6-7-16(24-27(14)15)25-8-3-4-9-25/h6-7,13H,2-5,8-12H2,1H3
InChIKeyABEIYJLMHRGYQF-UHFFFAOYSA-N
XLogP3.50
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one (CID 15953075) is 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N4CCCC4)nn23)C1.
What is the InChIKey of 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is ABEIYJLMHRGYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-2-5-13-10-17(28)26(11-13)12-14-18(19(20,21)22)23-15-6-7-16(24-27(14)15)25-8-3-4-9-25/h6-7,13H,2-5,8-12H2,1H3.
What are the key properties of 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[[6-pyrrolidin-1-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15953075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).