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

C15H13F5N4O — CID 15951882

IUPAC4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc2nc(C(F)(F)F)c(CN3CC(C=C(F)F)CC3=O)n2n1
InChIInChI=1S/C15H13F5N4O/c1-8-2-3-12-21-14(15(18,19)20)10(24(12)22-8)7-23-6-9(4-11(16)17)5-13(23)25/h2-4,9H,5-7H2,1H3
InChIKeyNWULEWKSKHBQHG-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.19
Rot. Bonds3

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

4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 15951882) has the molecular formula C15H13F5N4O and a molecular weight of 360.29 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
PubChem CID15951882
Molecular FormulaC15H13F5N4O
Molecular Weight360.29 g/mol
Exact Mass360.10
IUPAC Name4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
SMILESCc1ccc2nc(C(F)(F)F)c(CN3CC(C=C(F)F)CC3=O)n2n1
InChIInChI=1S/C15H13F5N4O/c1-8-2-3-12-21-14(15(18,19)20)10(24(12)22-8)7-23-6-9(4-11(16)17)5-13(23)25/h2-4,9H,5-7H2,1H3
InChIKeyNWULEWKSKHBQHG-UHFFFAOYSA-N
XLogP3.19
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118111891
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1-[[5-[(2S)-2-methylbutyl]-2-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
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4-(2,2-Difluoroethenyl)-1-[[6-(propan-2-ylamino)-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951697

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one (CID 15951882) is 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one is Cc1ccc2nc(C(F)(F)F)c(CN3CC(C=C(F)F)CC3=O)n2n1.
What is the InChIKey of 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is NWULEWKSKHBQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N4O/c1-8-2-3-12-21-14(15(18,19)20)10(24(12)22-8)7-23-6-9(4-11(16)17)5-13(23)25/h2-4,9H,5-7H2,1H3.
What are the key properties of 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 360.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-1-[[6-methyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15951882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).