N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide

C15H17F3N4O — CID 66992024

IUPACN-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide
SMILESCc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(C3CC3)n2n1
InChIInChI=1S/C15H17F3N4O/c1-8(15(16,17)18)7-12(23)20-14-13(10-4-5-10)22-11(19-14)6-3-9(2)21-22/h3,6,8,10H,4-5,7H2,1-2H3,(H,20,23)
InChIKeyPVCWUBSOWYDMOH-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.44
Rot. Bonds4

About N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide

N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 66992024) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide
PubChem CID66992024
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide
SMILESCc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(C3CC3)n2n1
InChIInChI=1S/C15H17F3N4O/c1-8(15(16,17)18)7-12(23)20-14-13(10-4-5-10)22-11(19-14)6-3-9(2)21-22/h3,6,8,10H,4-5,7H2,1-2H3,(H,20,23)
InChIKeyPVCWUBSOWYDMOH-UHFFFAOYSA-N
XLogP3.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide (CID 66992024) is N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide is Cc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(C3CC3)n2n1.
What is the InChIKey of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is PVCWUBSOWYDMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-8(15(16,17)18)7-12(23)20-14-13(10-4-5-10)22-11(19-14)6-3-9(2)21-22/h3,6,8,10H,4-5,7H2,1-2H3,(H,20,23).
What are the key properties of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide?
N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 326.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 66992024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).