2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one

C22H18F4N4O4 — CID 177184208

IUPAC2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one
SMILESO=C(c1ncccc1OCC(F)F)N1CC(n2nc(-c3ccccc3OC(F)F)ccc2=O)C1
InChIInChI=1S/C22H18F4N4O4/c23-18(24)12-33-17-6-3-9-27-20(17)21(32)29-10-13(11-29)30-19(31)8-7-15(28-30)14-4-1-2-5-16(14)34-22(25)26/h1-9,13,18,22H,10-12H2
InChIKeyXHOJAWUFUXGCEH-UHFFFAOYSA-N
MW478.40 g/mol
LogP3.25
Rot. Bonds8

About 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one

2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one (PubChem CID 177184208) has the molecular formula C22H18F4N4O4 and a molecular weight of 478.40 g/mol. Its IUPAC name is 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one
PubChem CID177184208
Molecular FormulaC22H18F4N4O4
Molecular Weight478.40 g/mol
Exact Mass478.13
IUPAC Name2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one
SMILESO=C(c1ncccc1OCC(F)F)N1CC(n2nc(-c3ccccc3OC(F)F)ccc2=O)C1
InChIInChI=1S/C22H18F4N4O4/c23-18(24)12-33-17-6-3-9-27-20(17)21(32)29-10-13(11-29)30-19(31)8-7-15(28-30)14-4-1-2-5-16(14)34-22(25)26/h1-9,13,18,22H,10-12H2
InChIKeyXHOJAWUFUXGCEH-UHFFFAOYSA-N
XLogP3.25
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2-Tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 59577179
4-[(3-Fluoropyridin-2-yl)methyl]-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183270
4-(Pyridin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183285
7-[4-(Trifluoromethoxy)phenyl]-4-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 89350072
6-(1-Methylpyrazol-4-yl)-3-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 145964002
N-[3-[(4R,5R)-2-amino-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 66559099
US9415055, (+)-2-methoxy-N-(2-morpholino-2-(6-(trifluoromethyl)pyridin-3-yl)ethyl)benzamide
CID 73672338
(3-ethoxy-6-methylpyridin-2-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117630025
Picolinamide, 5-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-
CID 3055232
[3-(4-Fluoro-2-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 134793057
[3-(4-Fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 134795184
(3-Ethoxy-6-methylpyridin-2-yl)-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90413341

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one?
The IUPAC name of 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one (CID 177184208) is 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one is O=C(c1ncccc1OCC(F)F)N1CC(n2nc(-c3ccccc3OC(F)F)ccc2=O)C1.
What is the InChIKey of 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one?
The InChIKey is XHOJAWUFUXGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O4/c23-18(24)12-33-17-6-3-9-27-20(17)21(32)29-10-13(11-29)30-19(31)8-7-15(28-30)14-4-1-2-5-16(14)34-22(25)26/h1-9,13,18,22H,10-12H2.
What are the key properties of 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one?
2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one has a molecular weight of 478.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,2-difluoroethoxy)pyridine-2-carbonyl]azetidin-3-yl]-6-[2-(difluoromethoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 177184208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).