2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C24H21F3N6O5 — CID 154697477

IUPAC2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4ccccc4OC(F)(F)F)c3)ccc2n1
InChIInChI=1S/C24H21F3N6O5/c1-36-13-21(34)31-19-12-33-20(30-19)8-7-17(32-33)15-9-16(23(37-2)29-11-15)22(35)28-10-14-5-3-4-6-18(14)38-24(25,26)27/h3-9,11-12H,10,13H2,1-2H3,(H,28,35)(H,31,34)
InChIKeyJBVCNKNOOZBGRW-UHFFFAOYSA-N
MW530.46 g/mol
LogP3.21
Rot. Bonds9

About 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 154697477) has the molecular formula C24H21F3N6O5 and a molecular weight of 530.46 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID154697477
Molecular FormulaC24H21F3N6O5
Molecular Weight530.46 g/mol
Exact Mass530.15
IUPAC Name2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4ccccc4OC(F)(F)F)c3)ccc2n1
InChIInChI=1S/C24H21F3N6O5/c1-36-13-21(34)31-19-12-33-20(30-19)8-7-17(32-33)15-9-16(23(37-2)29-11-15)22(35)28-10-14-5-3-4-6-18(14)38-24(25,26)27/h3-9,11-12H,10,13H2,1-2H3,(H,28,35)(H,31,34)
InChIKeyJBVCNKNOOZBGRW-UHFFFAOYSA-N
XLogP3.21
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 154697477) is 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is COCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4ccccc4OC(F)(F)F)c3)ccc2n1.
What is the InChIKey of 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is JBVCNKNOOZBGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O5/c1-36-13-21(34)31-19-12-33-20(30-19)8-7-17(32-33)15-9-16(23(37-2)29-11-15)22(35)28-10-14-5-3-4-6-18(14)38-24(25,26)27/h3-9,11-12H,10,13H2,1-2H3,(H,28,35)(H,31,34).
What are the key properties of 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 530.46 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(2-methoxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 154697477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).