2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide

C19H22F3N7O2 — CID 157030538

IUPAC2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C19H22F3N7O2/c1-12(2)29-15(4-6-25-29)18(31)24-10-14-11-28-16(27-14)7-13(9-26-28)8-23-17(30)3-5-19(20,21)22/h4,6-7,9,11-12H,3,5,8,10H2,1-2H3,(H,23,30)(H,24,31)
InChIKeyFKTKLXOVLZLYLJ-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.40
Rot. Bonds8

About 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide

2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 157030538) has the molecular formula C19H22F3N7O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID157030538
Molecular FormulaC19H22F3N7O2
Molecular Weight437.43 g/mol
Exact Mass437.18
IUPAC Name2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
InChIInChI=1S/C19H22F3N7O2/c1-12(2)29-15(4-6-25-29)18(31)24-10-14-11-28-16(27-14)7-13(9-26-28)8-23-17(30)3-5-19(20,21)22/h4,6-7,9,11-12H,3,5,8,10H2,1-2H3,(H,23,30)(H,24,31)
InChIKeyFKTKLXOVLZLYLJ-UHFFFAOYSA-N
XLogP2.40
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide (CID 157030538) is 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.
What is the InChIKey of 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is FKTKLXOVLZLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2/c1-12(2)29-15(4-6-25-29)18(31)24-10-14-11-28-16(27-14)7-13(9-26-28)8-23-17(30)3-5-19(20,21)22/h4,6-7,9,11-12H,3,5,8,10H2,1-2H3,(H,23,30)(H,24,31).
What are the key properties of 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide?
2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 157030538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).