5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol

C17H20FN3O2 — CID 170381589

IUPAC5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol
SMILESCc1cc(O[C@@H]2CCCN(C)C2)nnc1-c1ccc(F)cc1O
InChIInChI=1S/C17H20FN3O2/c1-11-8-16(23-13-4-3-7-21(2)10-13)19-20-17(11)14-6-5-12(18)9-15(14)22/h5-6,8-9,13,22H,3-4,7,10H2,1-2H3/t13-/m1/s1
InChIKeySBSSVAQTZMTHRO-CYBMUJFWSA-N
MW317.36 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol

5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol (PubChem CID 170381589) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol
PubChem CID170381589
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol
SMILESCc1cc(O[C@@H]2CCCN(C)C2)nnc1-c1ccc(F)cc1O
InChIInChI=1S/C17H20FN3O2/c1-11-8-16(23-13-4-3-7-21(2)10-13)19-20-17(11)14-6-5-12(18)9-15(14)22/h5-6,8-9,13,22H,3-4,7,10H2,1-2H3/t13-/m1/s1
InChIKeySBSSVAQTZMTHRO-CYBMUJFWSA-N
XLogP2.77
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 171826679
2,3-bis(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)oxypyrazine
CID 143313789
CID 174116617
CID 174116617
2-[4-methyl-6-[N-methyl-C-(1-methylpiperidin-3-yl)carbonimidoyl]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 170227299
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
3-methyl-6-(1-methylpyrrolidin-3-yl)oxypyridazine
CID 126953957
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
2-[6-[1-hydroxy-1-(1-methylpiperidin-3-yl)ethyl]-4,5-dimethylpyridazin-3-yl]-5-methylphenol
CID 170226367
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol
CID 170226371
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 170381964

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol?
The IUPAC name of 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol (CID 170381589) is 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol?
The canonical SMILES for 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol is Cc1cc(O[C@@H]2CCCN(C)C2)nnc1-c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol?
The InChIKey is SBSSVAQTZMTHRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-8-16(23-13-4-3-7-21(2)10-13)19-20-17(11)14-6-5-12(18)9-15(14)22/h5-6,8-9,13,22H,3-4,7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol?
5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol has a molecular weight of 317.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-methyl-6-[(3R)-1-methylpiperidin-3-yl]oxypyridazin-3-yl]phenol is sourced from PubChem (CID 170381589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).