2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one

C17H16F3N3O3 — CID 162437791

IUPAC2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one
SMILESCOc1ccc(C2CC(=O)N(c3ccnn(CC(F)F)c3=O)C2)c(F)c1
InChIInChI=1S/C17H16F3N3O3/c1-26-11-2-3-12(13(18)7-11)10-6-16(24)22(8-10)14-4-5-21-23(17(14)25)9-15(19)20/h2-5,7,10,15H,6,8-9H2,1H3
InChIKeyGWHAMDJWFWLCAX-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.18
Rot. Bonds5

About 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one

2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one (PubChem CID 162437791) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one
PubChem CID162437791
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one
SMILESCOc1ccc(C2CC(=O)N(c3ccnn(CC(F)F)c3=O)C2)c(F)c1
InChIInChI=1S/C17H16F3N3O3/c1-26-11-2-3-12(13(18)7-11)10-6-16(24)22(8-10)14-4-5-21-23(17(14)25)9-15(19)20/h2-5,7,10,15H,6,8-9H2,1H3
InChIKeyGWHAMDJWFWLCAX-UHFFFAOYSA-N
XLogP2.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)sulfanylpyridin-2-one
CID 162437576
1-cyclobutyl-3-[(4R)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-4-methylpyridin-2-one
CID 170370781
4-(chloromethyl)-1-(2-fluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168507474
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
6-ethyl-3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367683
[1-(2-fluoro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675660
3-[(4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(2-methylpropyl)pyridin-2-one
CID 170366975
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 170370379
3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-[3-methoxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]pyridin-2-one
CID 162437418
4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 91906768
N-[(3S,4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 169319379

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one (CID 162437791) is 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one is COc1ccc(C2CC(=O)N(c3ccnn(CC(F)F)c3=O)C2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one?
The InChIKey is GWHAMDJWFWLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-26-11-2-3-12(13(18)7-11)10-6-16(24)22(8-10)14-4-5-21-23(17(14)25)9-15(19)20/h2-5,7,10,15H,6,8-9H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one?
2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one has a molecular weight of 367.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 162437791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).