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

C14H11ClF6N4O — CID 15952964

IUPAC1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(CC(F)(F)F)CN1Cc1c(C(F)(F)F)nc2ccc(Cl)nn12
InChIInChI=1S/C14H11ClF6N4O/c15-9-1-2-10-22-12(14(19,20)21)8(25(10)23-9)6-24-5-7(3-11(24)26)4-13(16,17)18/h1-2,7H,3-6H2
InChIKeyGEKCVAGBEDBBPE-UHFFFAOYSA-N
MW400.71 g/mol
LogP3.70
Rot. Bonds3

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

1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 15952964) has the molecular formula C14H11ClF6N4O and a molecular weight of 400.71 g/mol. Its IUPAC name is 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID15952964
Molecular FormulaC14H11ClF6N4O
Molecular Weight400.71 g/mol
Exact Mass400.05
IUPAC Name1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1CC(CC(F)(F)F)CN1Cc1c(C(F)(F)F)nc2ccc(Cl)nn12
InChIInChI=1S/C14H11ClF6N4O/c15-9-1-2-10-22-12(14(19,20)21)8(25(10)23-9)6-24-5-7(3-11(24)26)4-13(16,17)18/h1-2,7H,3-6H2
InChIKeyGEKCVAGBEDBBPE-UHFFFAOYSA-N
XLogP3.70
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 15952964) is 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1CC(CC(F)(F)F)CN1Cc1c(C(F)(F)F)nc2ccc(Cl)nn12.
What is the InChIKey of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is GEKCVAGBEDBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF6N4O/c15-9-1-2-10-22-12(14(19,20)21)8(25(10)23-9)6-24-5-7(3-11(24)26)4-13(16,17)18/h1-2,7H,3-6H2.
What are the key properties of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 400.71 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 15952964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).