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

C15H16ClF3N4O — CID 15952659

IUPAC1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(Cl)nn23)C1
InChIInChI=1S/C15H16ClF3N4O/c1-2-3-9-6-13(24)22(7-9)8-10-14(15(17,18)19)20-12-5-4-11(16)21-23(10)12/h4-5,9H,2-3,6-8H2,1H3
InChIKeyDAHWBFGUGGFLBE-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.55
Rot. Bonds4

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

1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 15952659) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID15952659
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC Name1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(Cl)nn23)C1
InChIInChI=1S/C15H16ClF3N4O/c1-2-3-9-6-13(24)22(7-9)8-10-14(15(17,18)19)20-12-5-4-11(16)21-23(10)12/h4-5,9H,2-3,6-8H2,1H3
InChIKeyDAHWBFGUGGFLBE-UHFFFAOYSA-N
XLogP3.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one
CID 15952754
4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951703
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
(4S)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(hydroxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911614
4-(2,2-difluoroethenyl)-1-[[6-thiophen-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951793
(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(trideuteriomethoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911732
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52911615
1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510823
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (CID 15952659) is 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(Cl)nn23)C1.
What is the InChIKey of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is DAHWBFGUGGFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O/c1-2-3-9-6-13(24)22(7-9)8-10-14(15(17,18)19)20-12-5-4-11(16)21-23(10)12/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 360.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 15952659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).