6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C16H17F2N3O3 — CID 128963778

IUPAC6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CC(O)CC2c2ccc(F)c(F)c2)CCC1=O
InChIInChI=1S/C16H17F2N3O3/c1-20-15(23)5-4-13(19-20)16(24)21-8-10(22)7-14(21)9-2-3-11(17)12(18)6-9/h2-3,6,10,14,22H,4-5,7-8H2,1H3
InChIKeyANJHNNNDNUYTHK-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.21
Rot. Bonds2

About 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 128963778) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID128963778
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CC(O)CC2c2ccc(F)c(F)c2)CCC1=O
InChIInChI=1S/C16H17F2N3O3/c1-20-15(23)5-4-13(19-20)16(24)21-8-10(22)7-14(21)9-2-3-11(17)12(18)6-9/h2-3,6,10,14,22H,4-5,7-8H2,1H3
InChIKeyANJHNNNDNUYTHK-UHFFFAOYSA-N
XLogP1.21
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 97140187
(2S,4S)-4-hydroxy-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 64712320
[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346048
[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346049
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346047
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129352246
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indol-2-yl)methanone
CID 128560592
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 128990290
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 128963778) is 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CC(O)CC2c2ccc(F)c(F)c2)CCC1=O.
What is the InChIKey of 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is ANJHNNNDNUYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-20-15(23)5-4-13(19-20)16(24)21-8-10(22)7-14(21)9-2-3-11(17)12(18)6-9/h2-3,6,10,14,22H,4-5,7-8H2,1H3.
What are the key properties of 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 337.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 128963778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).