4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol

C22H23FN4O — CID 70954601

IUPAC4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol
SMILESCN1CCN(c2cc(Nc3ccc(O)cc3)cc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H23FN4O/c1-26-10-12-27(13-11-26)22-15-19(24-18-6-8-20(28)9-7-18)14-21(25-22)16-2-4-17(23)5-3-16/h2-9,14-15,28H,10-13H2,1H3,(H,24,25)
InChIKeyYESOJOYRNVVFRF-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.09
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol

4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol (PubChem CID 70954601) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol
PubChem CID70954601
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol
SMILESCN1CCN(c2cc(Nc3ccc(O)cc3)cc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C22H23FN4O/c1-26-10-12-27(13-11-26)22-15-19(24-18-6-8-20(28)9-7-18)14-21(25-22)16-2-4-17(23)5-3-16/h2-9,14-15,28H,10-13H2,1H3,(H,24,25)
InChIKeyYESOJOYRNVVFRF-UHFFFAOYSA-N
XLogP4.09
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenol
CID 70954593
4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 4625280
sulfanyl 4-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzoate
CID 89133384
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
1-[6-chloro-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]piperidin-4-ol;(4-fluorophenyl)boronic acid;1-[6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]piperidin-4-ol
CID 161133768
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
CID 174611706
N-(4-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936319
N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936417

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol?
The IUPAC name of 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol (CID 70954601) is 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol is CN1CCN(c2cc(Nc3ccc(O)cc3)cc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol?
The InChIKey is YESOJOYRNVVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-26-10-12-27(13-11-26)22-15-19(24-18-6-8-20(28)9-7-18)14-21(25-22)16-2-4-17(23)5-3-16/h2-9,14-15,28H,10-13H2,1H3,(H,24,25).
What are the key properties of 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol?
4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol has a molecular weight of 378.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol is sourced from PubChem (CID 70954601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).