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

C18H21F3N4O — CID 15952760

IUPAC1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(C4CC4)nn23)C1
InChIInChI=1S/C18H21F3N4O/c1-2-3-11-8-16(26)24(9-11)10-14-17(18(19,20)21)22-15-7-6-13(12-4-5-12)23-25(14)15/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyXYHPHVVFSKYRJM-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.77
Rot. Bonds5

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

1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 15952760) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID15952760
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(C4CC4)nn23)C1
InChIInChI=1S/C18H21F3N4O/c1-2-3-11-8-16(26)24(9-11)10-14-17(18(19,20)21)22-15-7-6-13(12-4-5-12)23-25(14)15/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyXYHPHVVFSKYRJM-UHFFFAOYSA-N
XLogP3.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (CID 15952760) is 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(C4CC4)nn23)C1.
What is the InChIKey of 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is XYHPHVVFSKYRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-2-3-11-8-16(26)24(9-11)10-14-17(18(19,20)21)22-15-7-6-13(12-4-5-12)23-25(14)15/h6-7,11-12H,2-5,8-10H2,1H3.
What are the key properties of 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 366.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 15952760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).