4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane

C19H27F5N4O — CID 143347761

IUPAC4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane
SMILESCC.CCC.O=C1CC(CC(F)F)CN1Cc1c(C(F)(F)F)nc2cccnn12
InChIInChI=1S/C14H13F5N4O.C3H8.C2H6/c15-10(16)4-8-5-12(24)22(6-8)7-9-13(14(17,18)19)21-11-2-1-3-20-23(9)11;1-3-2;1-2/h1-3,8,10H,4-7H2;3H2,1-2H3;1-2H3
InChIKeyCTZGNIAQZMIEGB-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.19
Rot. Bonds4

About 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane

4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane (PubChem CID 143347761) has the molecular formula C19H27F5N4O and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane
PubChem CID143347761
Molecular FormulaC19H27F5N4O
Molecular Weight422.44 g/mol
Exact Mass422.21
IUPAC Name4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane
SMILESCC.CCC.O=C1CC(CC(F)F)CN1Cc1c(C(F)(F)F)nc2cccnn12
InChIInChI=1S/C14H13F5N4O.C3H8.C2H6/c15-10(16)4-8-5-12(24)22(6-8)7-9-13(14(17,18)19)21-11-2-1-3-20-23(9)11;1-3-2;1-2/h1-3,8,10H,4-7H2;3H2,1-2H3;1-2H3
InChIKeyCTZGNIAQZMIEGB-UHFFFAOYSA-N
XLogP5.19
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane?
The IUPAC name of 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane (CID 143347761) is 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane is CC.CCC.O=C1CC(CC(F)F)CN1Cc1c(C(F)(F)F)nc2cccnn12.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane?
The InChIKey is CTZGNIAQZMIEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N4O.C3H8.C2H6/c15-10(16)4-8-5-12(24)22(6-8)7-9-13(14(17,18)19)21-11-2-1-3-20-23(9)11;1-3-2;1-2/h1-3,8,10H,4-7H2;3H2,1-2H3;1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane?
4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane has a molecular weight of 422.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one;ethane;propane is sourced from PubChem (CID 143347761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).