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

C15H18F3N5O — CID 15952967

IUPAC1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N)nn23)C1
InChIInChI=1S/C15H18F3N5O/c1-2-3-9-6-13(24)22(7-9)8-10-14(15(16,17)18)20-12-5-4-11(19)21-23(10)12/h4-5,9H,2-3,6-8H2,1H3,(H2,19,21)
InChIKeyCXFPVIOZBCYONT-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.48
Rot. Bonds4

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

1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 15952967) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID15952967
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N)nn23)C1
InChIInChI=1S/C15H18F3N5O/c1-2-3-9-6-13(24)22(7-9)8-10-14(15(16,17)18)20-12-5-4-11(19)21-23(10)12/h4-5,9H,2-3,6-8H2,1H3,(H2,19,21)
InChIKeyCXFPVIOZBCYONT-UHFFFAOYSA-N
XLogP2.48
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17466626
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801010
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134803505
[(1R,3S)-3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]cyclopentyl]-pyrrolidin-1-ylmethanone
CID 121551264
4-(2,2-Difluoroethenyl)-1-[[6-(propan-2-ylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951697
4-(2,2-Difluoroethenyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951698
1-[[2-Cyclopropyl-6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951699
1-[[2-Cyclopropyl-6-(2-fluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951700
1-[[2-Cyclopropyl-6-(2,2-difluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951701
1-[[2-Cyclopropyl-6-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951702
4-(2,2-Difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951703
1-[[2-Cyclopropyl-6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2-difluoroethenyl)pyrrolidin-2-one
CID 15951787

Frequently Asked Questions

What is the IUPAC name of 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (CID 15952967) is 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(N)nn23)C1.
What is the InChIKey of 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is CXFPVIOZBCYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-2-3-9-6-13(24)22(7-9)8-10-14(15(16,17)18)20-12-5-4-11(19)21-23(10)12/h4-5,9H,2-3,6-8H2,1H3,(H2,19,21).
What are the key properties of 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 341.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 15952967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).