2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C25H33FN6O — CID 137464865

IUPAC2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCC1(C)CC(N(CCCF)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C25H33FN6O/c1-24(2)13-19(14-25(3,4)31-24)32(11-5-10-26)23-9-8-21(29-30-23)20-7-6-17(12-22(20)33)18-15-27-28-16-18/h6-9,12,15-16,19,31,33H,5,10-11,13-14H2,1-4H3,(H,27,28)
InChIKeyDYSTVXIWIFVOEA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.71
Rot. Bonds7

About 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 137464865) has the molecular formula C25H33FN6O and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID137464865
Molecular FormulaC25H33FN6O
Molecular Weight452.58 g/mol
Exact Mass452.27
IUPAC Name2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCC1(C)CC(N(CCCF)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C25H33FN6O/c1-24(2)13-19(14-25(3,4)31-24)32(11-5-10-26)23-9-8-21(29-30-23)20-7-6-17(12-22(20)33)18-15-27-28-16-18/h6-9,12,15-16,19,31,33H,5,10-11,13-14H2,1-4H3,(H,27,28)
InChIKeyDYSTVXIWIFVOEA-UHFFFAOYSA-N
XLogP4.71
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 137464865) is 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CC1(C)CC(N(CCCF)c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is DYSTVXIWIFVOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-24(2)13-19(14-25(3,4)31-24)32(11-5-10-26)23-9-8-21(29-30-23)20-7-6-17(12-22(20)33)18-15-27-28-16-18/h6-9,12,15-16,19,31,33H,5,10-11,13-14H2,1-4H3,(H,27,28).
What are the key properties of 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 452.58 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-fluoropropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 137464865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).