3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile

C15H10F5N5O — CID 15951792

IUPAC3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile
SMILESN#Cc1ccc2nc(C(F)(F)F)c(CN3CC(C=C(F)F)CC3=O)n2n1
InChIInChI=1S/C15H10F5N5O/c16-11(17)3-8-4-13(26)24(6-8)7-10-14(15(18,19)20)22-12-2-1-9(5-21)23-25(10)12/h1-3,8H,4,6-7H2
InChIKeyXPDYXESGTSGELL-UHFFFAOYSA-N
MW371.27 g/mol
LogP2.75
Rot. Bonds3

About 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile

3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile (PubChem CID 15951792) has the molecular formula C15H10F5N5O and a molecular weight of 371.27 g/mol. Its IUPAC name is 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile.

Molecular Properties

Compound Name3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile
PubChem CID15951792
Molecular FormulaC15H10F5N5O
Molecular Weight371.27 g/mol
Exact Mass371.08
IUPAC Name3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile
SMILESN#Cc1ccc2nc(C(F)(F)F)c(CN3CC(C=C(F)F)CC3=O)n2n1
InChIInChI=1S/C15H10F5N5O/c16-11(17)3-8-4-13(26)24(6-8)7-10-14(15(18,19)20)22-12-2-1-9(5-21)23-25(10)12/h1-3,8H,4,6-7H2
InChIKeyXPDYXESGTSGELL-UHFFFAOYSA-N
XLogP2.75
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile?
The IUPAC name of 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile (CID 15951792) is 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile.
What is the SMILES notation for 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile?
The canonical SMILES for 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile is N#Cc1ccc2nc(C(F)(F)F)c(CN3CC(C=C(F)F)CC3=O)n2n1.
What is the InChIKey of 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile?
The InChIKey is XPDYXESGTSGELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N5O/c16-11(17)3-8-4-13(26)24(6-8)7-10-14(15(18,19)20)22-12-2-1-9(5-21)23-25(10)12/h1-3,8H,4,6-7H2.
What are the key properties of 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile?
3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile has a molecular weight of 371.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]methyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carbonitrile is sourced from PubChem (CID 15951792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).