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

C18H14ClF3N4O — CID 15952754

IUPAC1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1c(C(F)(F)F)nc2ccc(Cl)nn12
InChIInChI=1S/C18H14ClF3N4O/c19-14-6-7-15-23-17(18(20,21)22)13(26(15)24-14)10-25-9-12(8-16(25)27)11-4-2-1-3-5-11/h1-7,12H,8-10H2
InChIKeyDVMJEEOWFZDBFI-UHFFFAOYSA-N
MW394.78 g/mol
LogP3.92
Rot. Bonds3

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

1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one (PubChem CID 15952754) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one
PubChem CID15952754
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1Cc1c(C(F)(F)F)nc2ccc(Cl)nn12
InChIInChI=1S/C18H14ClF3N4O/c19-14-6-7-15-23-17(18(20,21)22)13(26(15)24-14)10-25-9-12(8-16(25)27)11-4-2-1-3-5-11/h1-7,12H,8-10H2
InChIKeyDVMJEEOWFZDBFI-UHFFFAOYSA-N
XLogP3.92
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 53.92
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-phenylpyrrolidin-2-one?
The IUPAC name of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one (CID 15952754) is 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one is O=C1CC(c2ccccc2)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-phenylpyrrolidin-2-one?
The InChIKey is DVMJEEOWFZDBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c19-14-6-7-15-23-17(18(20,21)22)13(26(15)24-14)10-25-9-12(8-16(25)27)11-4-2-1-3-5-11/h1-7,12H,8-10H2.
What are the key properties of 1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one?
1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 394.78 g/mol, XLogP of 3.92, 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-phenylpyrrolidin-2-one is sourced from PubChem (CID 15952754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).