N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C19H20F3N5O3 — CID 145397873

About N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 145397873) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 145397873
• Molecular Formula: C19H20F3N5O3
• Molecular Weight: 423.40 g/mol
• Exact Mass: 423.15
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: Cc1cc(N2CC(C(C)C)OC2=O)nn2c(C(=O)/N=C(/C3CC3)C(F)(F)F)cnc12
• InChI: InChI=1S/C19H20F3N5O3/c1-9(2)13-8-26(18(29)30-13)14-6-10(3)16-23-7-12(27(16)25-14)17(28)24-15(11-4-5-11)19(20,21)22/h6-7,9,11,13H,4-5,8H2,1-3H3/b24-15-
• InChIKey: OGFMPUWWTLKMKW-IWIPYMOSSA-N
• XLogP: 3.57
• TPSA: 89.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.40
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 145397873) is N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(N2CC(C(C)C)OC2=O)nn2c(C(=O)/N=C(/C3CC3)C(F)(F)F)cnc12.

What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is OGFMPUWWTLKMKW-IWIPYMOSSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-9(2)13-8-26(18(29)30-13)14-6-10(3)16-23-7-12(27(16)25-14)17(28)24-15(11-4-5-11)19(20,21)22/h6-7,9,11,13H,4-5,8H2,1-3H3/b24-15-.

What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2,2,2-trifluoroethylidene)-8-methyl-6-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 145397873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).