2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol

C22H27FN6O2 — CID 155287177

IUPAC2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol
SMILESCn1ccc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)n1
InChIInChI=1S/C22H27FN6O2/c1-21(2)11-17(20(23)22(3,4)28-21)31-18-7-6-15(25-26-18)19-16(30)10-13(12-24-19)14-8-9-29(5)27-14/h6-10,12,17,20,28,30H,11H2,1-5H3/t17-,20-/m0/s1
InChIKeyQMCBJWBHFYCNGN-PXNSSMCTSA-N
MW426.50 g/mol
LogP3.28
Rot. Bonds4

About 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol

2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol (PubChem CID 155287177) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol
PubChem CID155287177
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Name2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol
SMILESCn1ccc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)n1
InChIInChI=1S/C22H27FN6O2/c1-21(2)11-17(20(23)22(3,4)28-21)31-18-7-6-15(25-26-18)19-16(30)10-13(12-24-19)14-8-9-29(5)27-14/h6-10,12,17,20,28,30H,11H2,1-5H3/t17-,20-/m0/s1
InChIKeyQMCBJWBHFYCNGN-PXNSSMCTSA-N
XLogP3.28
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol 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 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol (CID 155287177) is 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol is Cn1ccc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)n1.
What is the InChIKey of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol?
The InChIKey is QMCBJWBHFYCNGN-PXNSSMCTSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-21(2)11-17(20(23)22(3,4)28-21)31-18-7-6-15(25-26-18)19-16(30)10-13(12-24-19)14-8-9-29(5)27-14/h6-10,12,17,20,28,30H,11H2,1-5H3/t17-,20-/m0/s1.
What are the key properties of 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol?
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol has a molecular weight of 426.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1-methylpyrazol-3-yl)pyridin-3-ol is sourced from PubChem (CID 155287177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).