2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol

C20H20FN5O2 — CID 162390728

IUPAC2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1ccc(O[C@@H]2C[C@H]3CC[C@H](N3)[C@@H]2F)nn1
InChIInChI=1S/C20H20FN5O2/c21-20-16-4-1-12(23-16)9-18(20)28-19-6-5-15(24-25-19)14-3-2-13(10-17(14)27)26-8-7-22-11-26/h2-3,5-8,10-12,16,18,20,23,27H,1,4,9H2/t12-,16+,18-,20+/m1/s1
InChIKeySCVLJVIGBNNONT-MINVPOHDSA-N
MW381.41 g/mol
LogP2.64
Rot. Bonds4

About 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol

2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 162390728) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID162390728
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1ccc(O[C@@H]2C[C@H]3CC[C@H](N3)[C@@H]2F)nn1
InChIInChI=1S/C20H20FN5O2/c21-20-16-4-1-12(23-16)9-18(20)28-19-6-5-15(24-25-19)14-3-2-13(10-17(14)27)26-8-7-22-11-26/h2-3,5-8,10-12,16,18,20,23,27H,1,4,9H2/t12-,16+,18-,20+/m1/s1
InChIKeySCVLJVIGBNNONT-MINVPOHDSA-N
XLogP2.64
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol with MolForge

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Related Compounds

5-[5-Isopropyl-6-(3-piperidin-1-yl-propoxy)-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino]-2-methyl-phenol
CID 44389982
4-fluoro-5-imidazol-1-yl-2-[6-[[(1R,3S,5S)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162650904
4-fluoro-5-imidazol-1-yl-2-[6-[[(1S,3R,5R)-1-(methoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]phenol
CID 162657189
5-imidazol-1-yl-2-[6-[[(1R,3S,5S)-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]phenol
CID 162660023
4-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-4-yl]oxy-1H-indole
CID 122197449
US20260028352, Example I-28
CID 178347936
US20260028352, Example I-29
CID 178347937
US20260028352, Example I-34
CID 178347942
US20260028352, Example I-37
CID 178347945
US20260028352, Example I-39
CID 178347947
US20260028352, Example I-49
CID 178347957
US20260028352, Example I-53
CID 178347960

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol (CID 162390728) is 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1ccc(O[C@@H]2C[C@H]3CC[C@H](N3)[C@@H]2F)nn1.
What is the InChIKey of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is SCVLJVIGBNNONT-MINVPOHDSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-20-16-4-1-12(23-16)9-18(20)28-19-6-5-15(24-25-19)14-3-2-13(10-17(14)27)26-8-7-22-11-26/h2-3,5-8,10-12,16,18,20,23,27H,1,4,9H2/t12-,16+,18-,20+/m1/s1.
What are the key properties of 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 381.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 162390728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).