2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine

C26H35FN6O — CID 153382850

IUPAC2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine
SMILESC/N=N/c1cc(-c2ccc(-c3cn[nH]c3)c(F)c2O)cnc1C.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H14FN5O.C10H21N/c1-9-14(22-18-2)5-10(6-19-9)13-4-3-12(15(17)16(13)23)11-7-20-21-8-11;1-8-6-9(2,3)11-10(4,5)7-8/h3-8,23H,1-2H3,(H,20,21);8,11H,6-7H2,1-5H3/b22-18+;
InChIKeyNORWLHIWAGUSEI-MLWJBJAVSA-N
MW466.61 g/mol
LogP6.57
Rot. Bonds3

About 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine

2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine (PubChem CID 153382850) has the molecular formula C26H35FN6O and a molecular weight of 466.61 g/mol. Its IUPAC name is 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine
PubChem CID153382850
Molecular FormulaC26H35FN6O
Molecular Weight466.61 g/mol
Exact Mass466.29
IUPAC Name2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine
SMILESC/N=N/c1cc(-c2ccc(-c3cn[nH]c3)c(F)c2O)cnc1C.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H14FN5O.C10H21N/c1-9-14(22-18-2)5-10(6-19-9)13-4-3-12(15(17)16(13)23)11-7-20-21-8-11;1-8-6-9(2,3)11-10(4,5)7-8/h3-8,23H,1-2H3,(H,20,21);8,11H,6-7H2,1-5H3/b22-18+;
InChIKeyNORWLHIWAGUSEI-MLWJBJAVSA-N
XLogP6.57
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine (CID 153382850) is 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine is C/N=N/c1cc(-c2ccc(-c3cn[nH]c3)c(F)c2O)cnc1C.CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is NORWLHIWAGUSEI-MLWJBJAVSA-N. The full InChI is InChI=1S/C16H14FN5O.C10H21N/c1-9-14(22-18-2)5-10(6-19-9)13-4-3-12(15(17)16(13)23)11-7-20-21-8-11;1-8-6-9(2,3)11-10(4,5)7-8/h3-8,23H,1-2H3,(H,20,21);8,11H,6-7H2,1-5H3/b22-18+;.
What are the key properties of 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine?
2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 466.61 g/mol, XLogP of 6.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 153382850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).