5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide

C19H19F5N6O4 — CID 157034855

IUPAC5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCOc1ncc(-c2cc(OCC(F)(F)CCC(=O)NCC(F)(F)F)c3nccn3n2)c(OC)n1
InChIInChI=1S/C19H19F5N6O4/c1-32-16-11(8-26-17(28-16)33-2)12-7-13(15-25-5-6-30(15)29-12)34-10-18(20,21)4-3-14(31)27-9-19(22,23)24/h5-8H,3-4,9-10H2,1-2H3,(H,27,31)
InChIKeyVZPYRZLZJSAYGF-UHFFFAOYSA-N
MW490.39 g/mol
LogP2.68
Rot. Bonds10

About 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide

5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 157034855) has the molecular formula C19H19F5N6O4 and a molecular weight of 490.39 g/mol. Its IUPAC name is 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID157034855
Molecular FormulaC19H19F5N6O4
Molecular Weight490.39 g/mol
Exact Mass490.14
IUPAC Name5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCOc1ncc(-c2cc(OCC(F)(F)CCC(=O)NCC(F)(F)F)c3nccn3n2)c(OC)n1
InChIInChI=1S/C19H19F5N6O4/c1-32-16-11(8-26-17(28-16)33-2)12-7-13(15-25-5-6-30(15)29-12)34-10-18(20,21)4-3-14(31)27-9-19(22,23)24/h5-8H,3-4,9-10H2,1-2H3,(H,27,31)
InChIKeyVZPYRZLZJSAYGF-UHFFFAOYSA-N
XLogP2.68
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide with MolForge

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Related Compounds

3-[6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropan-1-ol
CID 157034441
6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine
CID 157032369
[3-[6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropyl] N-(2,4-difluorophenyl)carbamate
CID 157034052
trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate
CID 157034828
8-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 167340310
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-4-(2,2,2-trifluoroethoxy)quinoline
CID 157033656
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 157034538
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-(2,2,2-trifluoroethoxy)quinoline
CID 157034213
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene
CID 157032652
6'-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-5'-fluoro-1'-(2,2,2-trifluoroethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157034514

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide (CID 157034855) is 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide is COc1ncc(-c2cc(OCC(F)(F)CCC(=O)NCC(F)(F)F)c3nccn3n2)c(OC)n1.
What is the InChIKey of 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is VZPYRZLZJSAYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N6O4/c1-32-16-11(8-26-17(28-16)33-2)12-7-13(15-25-5-6-30(15)29-12)34-10-18(20,21)4-3-14(31)27-9-19(22,23)24/h5-8H,3-4,9-10H2,1-2H3,(H,27,31).
What are the key properties of 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide?
5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 490.39 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]oxy-4,4-difluoro-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 157034855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).