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

C19H24F2N4O — CID 136626066

IUPAC4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3cc(F)c(F)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C19H24F2N4O/c1-18(2)9-11(10-19(3,4)25-18)22-17-6-5-15(23-24-17)12-7-13(20)14(21)8-16(12)26/h5-8,11,25-26H,9-10H2,1-4H3,(H,22,24)
InChIKeyLOLTUMMLHVFCEE-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.85
Rot. Bonds3

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

4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 136626066) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID136626066
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(Nc2ccc(-c3cc(F)c(F)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C19H24F2N4O/c1-18(2)9-11(10-19(3,4)25-18)22-17-6-5-15(23-24-17)12-7-13(20)14(21)8-16(12)26/h5-8,11,25-26H,9-10H2,1-4H3,(H,22,24)
InChIKeyLOLTUMMLHVFCEE-UHFFFAOYSA-N
XLogP3.85
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 136626066) is 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1(C)CC(Nc2ccc(-c3cc(F)c(F)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is LOLTUMMLHVFCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-18(2)9-11(10-19(3,4)25-18)22-17-6-5-15(23-24-17)12-7-13(20)14(21)8-16(12)26/h5-8,11,25-26H,9-10H2,1-4H3,(H,22,24).
What are the key properties of 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 362.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 136626066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).