2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol

C18H18FN5O2 — CID 136598239

IUPAC2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESOc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2F)nn1
InChIInChI=1S/C18H18FN5O2/c19-14-11-20-8-6-17(14)26-18-5-4-15(22-23-18)13-3-2-12(10-16(13)25)24-9-1-7-21-24/h1-5,7,9-10,14,17,20,25H,6,8,11H2
InChIKeyJPPCHSUPZIDLHA-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.11
Rot. Bonds4

About 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol

2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol (PubChem CID 136598239) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
PubChem CID136598239
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESOc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2F)nn1
InChIInChI=1S/C18H18FN5O2/c19-14-11-20-8-6-17(14)26-18-5-4-15(22-23-18)13-3-2-12(10-16(13)25)24-9-1-7-21-24/h1-5,7,9-10,14,17,20,25H,6,8,11H2
InChIKeyJPPCHSUPZIDLHA-UHFFFAOYSA-N
XLogP2.11
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-(piperidin-4-yloxy)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253061
5-Pyrazol-1-yl-2-[6-(2,2,6,6-tetramethyl-piperidin-4-yloxy)pyridazin-3-yl]-phenol
CID 136598272
4-fluoro-2-[6-[[(1R,2S,3R,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162649625
4-fluoro-2-[6-[[(1S,2R,3S,5R)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162676714
2-[6-(3,3-Difluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 145982093
3-(2-fluoroethoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 71967975
5-Pyrazol-1-yl-2-[6-[2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazin-3-yl]phenol
CID 145992475
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridin-4-amine
CID 172448329
3-[4-[1-[4-[3-(Trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]anilino]propanoic acid
CID 68279018
(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol
CID 70001283
7-[4-[2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline
CID 117945939
7-[4-[2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline
CID 117945995

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol (CID 136598239) is 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol is Oc1cc(-n2cccn2)ccc1-c1ccc(OC2CCNCC2F)nn1.
What is the InChIKey of 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol?
The InChIKey is JPPCHSUPZIDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-14-11-20-8-6-17(14)26-18-5-4-15(22-23-18)13-3-2-12(10-16(13)25)24-9-1-7-21-24/h1-5,7,9-10,14,17,20,25H,6,8,11H2.
What are the key properties of 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol?
2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol has a molecular weight of 355.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluoropiperidin-4-yl)oxypyridazin-3-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 136598239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).