2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol

C25H33FN6O — CID 137465064

IUPAC2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(-c3ccc(N(CCF)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C25H33FN6O/c1-24(2)13-19(14-25(3,4)30-24)32(11-10-26)23-9-8-21(28-29-23)20-7-6-17(12-22(20)33)18-15-27-31(5)16-18/h6-9,12,15-16,19,30,33H,10-11,13-14H2,1-5H3
InChIKeyNOCBEDHAZWWCRK-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.33
Rot. Bonds6

About 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol

2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 137465064) has the molecular formula C25H33FN6O and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
PubChem CID137465064
Molecular FormulaC25H33FN6O
Molecular Weight452.58 g/mol
Exact Mass452.27
IUPAC Name2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(-c3ccc(N(CCF)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1
InChIInChI=1S/C25H33FN6O/c1-24(2)13-19(14-25(3,4)30-24)32(11-10-26)23-9-8-21(28-29-23)20-7-6-17(12-22(20)33)18-15-27-31(5)16-18/h6-9,12,15-16,19,30,33H,10-11,13-14H2,1-5H3
InChIKeyNOCBEDHAZWWCRK-UHFFFAOYSA-N
XLogP4.33
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol (CID 137465064) is 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2ccc(-c3ccc(N(CCF)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)cn1.
What is the InChIKey of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is NOCBEDHAZWWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O/c1-24(2)13-19(14-25(3,4)30-24)32(11-10-26)23-9-8-21(28-29-23)20-7-6-17(12-22(20)33)18-15-27-31(5)16-18/h6-9,12,15-16,19,30,33H,10-11,13-14H2,1-5H3.
What are the key properties of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol?
2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 452.58 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 137465064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).