3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine

C22H25F2N5O — CID 129219468

IUPAC3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
SMILESCC1(C)CC(Oc2ccc(-c3cc(F)c(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1
InChIInChI=1S/C22H25F2N5O/c1-21(2)9-14(10-22(3,4)29-21)30-20-6-5-19(27-28-20)16-8-17(23)15(7-18(16)24)13-11-25-26-12-13/h5-8,11-12,14,29H,9-10H2,1-4H3,(H,25,26)
InChIKeyTZZHLWLSQQYJSZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.50
Rot. Bonds4

About 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine

3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (PubChem CID 129219468) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.

Molecular Properties

Compound Name3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
PubChem CID129219468
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
SMILESCC1(C)CC(Oc2ccc(-c3cc(F)c(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1
InChIInChI=1S/C22H25F2N5O/c1-21(2)9-14(10-22(3,4)29-21)30-20-6-5-19(27-28-20)16-8-17(23)15(7-18(16)24)13-11-25-26-12-13/h5-8,11-12,14,29H,9-10H2,1-4H3,(H,25,26)
InChIKeyTZZHLWLSQQYJSZ-UHFFFAOYSA-N
XLogP4.50
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The IUPAC name of 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine (CID 129219468) is 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine.
What is the SMILES notation for 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The canonical SMILES for 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is CC1(C)CC(Oc2ccc(-c3cc(F)c(-c4cn[nH]c4)cc3F)nn2)CC(C)(C)N1.
What is the InChIKey of 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
The InChIKey is TZZHLWLSQQYJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-21(2)9-14(10-22(3,4)29-21)30-20-6-5-19(27-28-20)16-8-17(23)15(7-18(16)24)13-11-25-26-12-13/h5-8,11-12,14,29H,9-10H2,1-4H3,(H,25,26).
What are the key properties of 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine?
3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine has a molecular weight of 413.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine is sourced from PubChem (CID 129219468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).