3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one

C21H23FN4O3 — CID 51584549

IUPAC3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1
InChIInChI=1S/C21H23FN4O3/c1-13-8-19(29-25-13)17-10-20(27)23-24-21(17)14-4-3-7-26(11-14)12-15-9-16(28-2)5-6-18(15)22/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyFFMYRZWCSTXJPU-CQSZACIVSA-N
MW398.44 g/mol
LogP3.26
Rot. Bonds5

About 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one

3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one (PubChem CID 51584549) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
PubChem CID51584549
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1
InChIInChI=1S/C21H23FN4O3/c1-13-8-19(29-25-13)17-10-20(27)23-24-21(17)14-4-3-7-26(11-14)12-15-9-16(28-2)5-6-18(15)22/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyFFMYRZWCSTXJPU-CQSZACIVSA-N
XLogP3.26
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-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

4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763677
4-[1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760213
5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237190
2-[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136869629
2-[3-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069299
4-ethyl-2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707395
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401758
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28667611
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763705
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
6-cyclopropyl-2-[(3-methoxyphenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyridazin-3-one
CID 95801309

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one (CID 51584549) is 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one is COc1ccc(F)c(CN2CCC[C@@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1.
What is the InChIKey of 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
The InChIKey is FFMYRZWCSTXJPU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-13-8-19(29-25-13)17-10-20(27)23-24-21(17)14-4-3-7-26(11-14)12-15-9-16(28-2)5-6-18(15)22/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one?
3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one has a molecular weight of 398.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(3-methyl-1,2-oxazol-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 51584549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).