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

C23H19F3N6O4 — CID 142581016

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C23H19F3N6O4/c1-13(33)29-19-12-32-20(30-19)8-7-17(31-32)15-9-16(22(35-2)28-11-15)21(34)27-10-14-5-3-4-6-18(14)36-23(24,25)26/h3-9,11-12H,10H2,1-2H3,(H,27,34)(H,29,33)
InChIKeyPJKATLLHXWKCPC-UHFFFAOYSA-N
MW500.44 g/mol
LogP3.59
Rot. Bonds7

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 142581016) has the molecular formula C23H19F3N6O4 and a molecular weight of 500.44 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID142581016
Molecular FormulaC23H19F3N6O4
Molecular Weight500.44 g/mol
Exact Mass500.14
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C23H19F3N6O4/c1-13(33)29-19-12-32-20(30-19)8-7-17(31-32)15-9-16(22(35-2)28-11-15)21(34)27-10-14-5-3-4-6-18(14)36-23(24,25)26/h3-9,11-12H,10H2,1-2H3,(H,27,34)(H,29,33)
InChIKeyPJKATLLHXWKCPC-UHFFFAOYSA-N
XLogP3.59
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 155074290
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155074393
5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 154697468
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-ethyl-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142580862
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxybenzamide
CID 142580852
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-3-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methylbenzamide
CID 155089158
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(4,4-difluorocyclohexyl)methoxy]phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 155074277
5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 154697463
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-6-methyl-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 165437122
N-[6-[6-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]-2H-pyridin-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 158435834
N-[[2-[cyclopropyl(deuterio)methoxy]-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
CID 155074295
phenyl N-[6-[5-(difluoromethoxy)-6-methoxy-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 176898184

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 142581016) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PJKATLLHXWKCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O4/c1-13(33)29-19-12-32-20(30-19)8-7-17(31-32)15-9-16(22(35-2)28-11-15)21(34)27-10-14-5-3-4-6-18(14)36-23(24,25)26/h3-9,11-12H,10H2,1-2H3,(H,27,34)(H,29,33).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 500.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 142581016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).