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

C19H14F5N5O — CID 15951883

IUPAC4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C(F)(F)F)nc2ccc(-c3cccnc3)nn12
InChIInChI=1S/C19H14F5N5O/c20-15(21)6-11-7-17(30)28(9-11)10-14-18(19(22,23)24)26-16-4-3-13(27-29(14)16)12-2-1-5-25-8-12/h1-6,8,11H,7,9-10H2
InChIKeyLSLNJIBTADLWNX-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.94
Rot. Bonds4

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

4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 15951883) has the molecular formula C19H14F5N5O and a molecular weight of 423.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
PubChem CID15951883
Molecular FormulaC19H14F5N5O
Molecular Weight423.35 g/mol
Exact Mass423.11
IUPAC Name4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(C=C(F)F)CN1Cc1c(C(F)(F)F)nc2ccc(-c3cccnc3)nn12
InChIInChI=1S/C19H14F5N5O/c20-15(21)6-11-7-17(30)28(9-11)10-14-18(19(22,23)24)26-16-4-3-13(27-29(14)16)12-2-1-5-25-8-12/h1-6,8,11H,7,9-10H2
InChIKeyLSLNJIBTADLWNX-UHFFFAOYSA-N
XLogP3.94
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Zanvipixant
CID 90408860
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
US10399985, Example 8
CID 118278241
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
US10399985, Example 30
CID 118278101
3-Methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278175
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 7
CID 118278206

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one (CID 15951883) is 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-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-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one is O=C1CC(C=C(F)F)CN1Cc1c(C(F)(F)F)nc2ccc(-c3cccnc3)nn12.
What is the InChIKey of 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is LSLNJIBTADLWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N5O/c20-15(21)6-11-7-17(30)28(9-11)10-14-18(19(22,23)24)26-16-4-3-13(27-29(14)16)12-2-1-5-25-8-12/h1-6,8,11H,7,9-10H2.
What are the key properties of 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one?
4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 423.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenyl)-1-[[6-pyridin-3-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 15951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).