2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol

C23H24FN3O2S — CID 167360712

IUPAC2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol
SMILESCc1ccc(-c2ccc(-c3ccc(O[C@H]4CC5CCCC(N5)[C@H]4F)nn3)c(O)c2)s1
InChIInChI=1S/C23H24FN3O2S/c1-13-5-9-21(30-13)14-6-7-16(19(28)11-14)17-8-10-22(27-26-17)29-20-12-15-3-2-4-18(25-15)23(20)24/h5-11,15,18,20,23,25,28H,2-4,12H2,1H3/t15?,18?,20-,23+/m0/s1
InChIKeyJOWWJBDCFSQASS-RRKFKZJLSA-N
MW425.53 g/mol
LogP4.89
Rot. Bonds4

About 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol

2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol (PubChem CID 167360712) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol.

Molecular Properties

Compound Name2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol
PubChem CID167360712
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol
SMILESCc1ccc(-c2ccc(-c3ccc(O[C@H]4CC5CCCC(N5)[C@H]4F)nn3)c(O)c2)s1
InChIInChI=1S/C23H24FN3O2S/c1-13-5-9-21(30-13)14-6-7-16(19(28)11-14)17-8-10-22(27-26-17)29-20-12-15-3-2-4-18(25-15)23(20)24/h5-11,15,18,20,23,25,28H,2-4,12H2,1H3/t15?,18?,20-,23+/m0/s1
InChIKeyJOWWJBDCFSQASS-RRKFKZJLSA-N
XLogP4.89
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol?
The IUPAC name of 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol (CID 167360712) is 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol.
What is the SMILES notation for 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol?
The canonical SMILES for 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol is Cc1ccc(-c2ccc(-c3ccc(O[C@H]4CC5CCCC(N5)[C@H]4F)nn3)c(O)c2)s1.
What is the InChIKey of 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol?
The InChIKey is JOWWJBDCFSQASS-RRKFKZJLSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-13-5-9-21(30-13)14-6-7-16(19(28)11-14)17-8-10-22(27-26-17)29-20-12-15-3-2-4-18(25-15)23(20)24/h5-11,15,18,20,23,25,28H,2-4,12H2,1H3/t15?,18?,20-,23+/m0/s1.
What are the key properties of 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol?
2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol has a molecular weight of 425.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(5-methylthiophen-2-yl)phenol is sourced from PubChem (CID 167360712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).