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

C23H28FN7O — CID 167369848

IUPAC2-[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
SMILESCN(c1ccc(-c2ccc(-n3ccnn3)cc2O)nn1)[C@H]1[C@H](F)[C@@]2(C)CC[C@]1(C)CN2C
InChIInChI=1S/C23H28FN7O/c1-22-9-10-23(2,29(3)14-22)20(24)21(22)30(4)19-8-7-17(26-27-19)16-6-5-15(13-18(16)32)31-12-11-25-28-31/h5-8,11-13,20-21,32H,9-10,14H2,1-4H3/t20-,21-,22+,23+/m0/s1
InChIKeyFBIPFZCQLOPXQG-MYDTUXCISA-N
MW437.52 g/mol
LogP3.08
Rot. Bonds4

About 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

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 (PubChem CID 167369848) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167369848
Molecular FormulaC23H28FN7O
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name2-[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
SMILESCN(c1ccc(-c2ccc(-n3ccnn3)cc2O)nn1)[C@H]1[C@H](F)[C@@]2(C)CC[C@]1(C)CN2C
InChIInChI=1S/C23H28FN7O/c1-22-9-10-23(2,29(3)14-22)20(24)21(22)30(4)19-8-7-17(26-27-19)16-6-5-15(13-18(16)32)31-12-11-25-28-31/h5-8,11-13,20-21,32H,9-10,14H2,1-4H3/t20-,21-,22+,23+/m0/s1
InChIKeyFBIPFZCQLOPXQG-MYDTUXCISA-N
XLogP3.08
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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-[6-[[(1S,4S,5S,6S)-6-fluoro-1,2,4-trimethyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369295
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,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 154983316
2-[6-[[(1R,4R,5S,6S)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 175847679
2-[6-[[(1R,4R,5S,6R)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369495
2-[6-[[(1R,2S,3S,5S)-2-fluoro-1,5,8-trimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1,2,4-triazol-4-yl)phenol
CID 166586378
2-[6-[[(1S,5S,6S)-6-fluoro-1,2-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370208
2-[6-[[(1R,4R,5R,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.1]heptan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 175847729
2-[6-[[(1S,5S,6R)-6-fluoro-1-methyl-2-azabicyclo[2.2.2]octan-5-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167369685
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
2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(4-fluoropyrazol-1-yl)phenol
CID 167369612
CID 174035758
CID 174035758

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc(-c2ccc(-n3ccnn3)cc2O)nn1)[C@H]1[C@H](F)[C@@]2(C)CC[C@]1(C)CN2C.
What is the InChIKey of 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?
The InChIKey is FBIPFZCQLOPXQG-MYDTUXCISA-N. The full InChI is InChI=1S/C23H28FN7O/c1-22-9-10-23(2,29(3)14-22)20(24)21(22)30(4)19-8-7-17(26-27-19)16-6-5-15(13-18(16)32)31-12-11-25-28-31/h5-8,11-13,20-21,32H,9-10,14H2,1-4H3/t20-,21-,22+,23+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 437.52 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167369848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).