5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide

C24H21F3N6O3 — CID 155074170

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cccc(OCC(F)(F)F)c4)c3)ccc2n1
InChIInChI=1S/C24H21F3N6O3/c1-14-19(23(35)29-10-16-4-3-5-18(8-16)36-13-24(25,26)27)9-17(11-28-14)20-6-7-22-31-21(30-15(2)34)12-33(22)32-20/h3-9,11-12H,10,13H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyPEKXSGLBZNZXGD-UHFFFAOYSA-N
MW498.47 g/mol
LogP3.93
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155074170) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID155074170
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cccc(OCC(F)(F)F)c4)c3)ccc2n1
InChIInChI=1S/C24H21F3N6O3/c1-14-19(23(35)29-10-16-4-3-5-18(8-16)36-13-24(25,26)27)9-17(11-28-14)20-6-7-22-31-21(30-15(2)34)12-33(22)32-20/h3-9,11-12H,10,13H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyPEKXSGLBZNZXGD-UHFFFAOYSA-N
XLogP3.93
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 155074170) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cccc(OCC(F)(F)F)c4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PEKXSGLBZNZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O3/c1-14-19(23(35)29-10-16-4-3-5-18(8-16)36-13-24(25,26)27)9-17(11-28-14)20-6-7-22-31-21(30-15(2)34)12-33(22)32-20/h3-9,11-12H,10,13H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).