2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol

C23H26FN7O — CID 167449832

IUPAC2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol
SMILESCC1(C)C[C@@H](n2ccc3cc(-c4ccc(-n5ccnn5)cc4O)nnc32)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C23H26FN7O/c1-22(2)13-18(20(24)23(3,4)28-22)30-9-7-14-11-17(26-27-21(14)30)16-6-5-15(12-19(16)32)31-10-8-25-29-31/h5-12,18,20,28,32H,13H2,1-4H3/t18-,20-/m1/s1
InChIKeyQCTOSORWKBMMHL-UYAOXDASSA-N
MW435.51 g/mol
LogP3.81
Rot. Bonds3

About 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol

2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol (PubChem CID 167449832) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol.

Molecular Properties

Compound Name2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol
PubChem CID167449832
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol
SMILESCC1(C)C[C@@H](n2ccc3cc(-c4ccc(-n5ccnn5)cc4O)nnc32)[C@@H](F)C(C)(C)N1
InChIInChI=1S/C23H26FN7O/c1-22(2)13-18(20(24)23(3,4)28-22)30-9-7-14-11-17(26-27-21(14)30)16-6-5-15(12-19(16)32)31-10-8-25-29-31/h5-12,18,20,28,32H,13H2,1-4H3/t18-,20-/m1/s1
InChIKeyQCTOSORWKBMMHL-UYAOXDASSA-N
XLogP3.81
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[7-(2,2-dimethylpiperidin-4-yl)pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 167449824
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]isoquinolin-7-ol
CID 170630112
2-[7-(4-azaspiro[2.5]octan-7-yl)pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 167449853
2-[7-(4-azaspiro[2.5]octan-7-yl)pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol;dihydrochloride
CID 167449852
2-[3-[1-[(1R,2R,3R,5R)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]ethenyl]-1,2,4-triazin-6-yl]-5-(triazol-1-yl)phenol
CID 162777967
2-[3-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 156699233
5-[7-[(3R,4R)-3-fluoro-2,2-dimethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-6-ol
CID 170630167
2-[3-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 156699232
2-[6-[[(1R,4R)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 175847565
2-[6-[[(1R,4R,5R,6S)-6-fluoro-1,2,4-trimethyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 167369848
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol
CID 170630098
7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-3-[2-(methoxymethoxy)-4-(4-methyltriazol-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-c]pyridazine
CID 167449907

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol?
The IUPAC name of 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol (CID 167449832) is 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol.
What is the SMILES notation for 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol?
The canonical SMILES for 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol is CC1(C)C[C@@H](n2ccc3cc(-c4ccc(-n5ccnn5)cc4O)nnc32)[C@@H](F)C(C)(C)N1.
What is the InChIKey of 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol?
The InChIKey is QCTOSORWKBMMHL-UYAOXDASSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-22(2)13-18(20(24)23(3,4)28-22)30-9-7-14-11-17(26-27-21(14)30)16-6-5-15(12-19(16)32)31-10-8-25-29-31/h5-12,18,20,28,32H,13H2,1-4H3/t18-,20-/m1/s1.
What are the key properties of 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol?
2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol has a molecular weight of 435.51 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol is sourced from PubChem (CID 167449832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).