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

C20H19F2N5O2 — CID 162390709

IUPAC2-[6-[[(1R,3S,5S)-6,6-difluoro-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(F)(F)[C@H](C2)N3)nn1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)10-12-7-14(9-18(20)24-12)29-19-4-3-16(25-26-19)15-2-1-13(8-17(15)28)27-6-5-23-11-27/h1-6,8,11-12,14,18,24,28H,7,9-10H2/t12-,14+,18+/m1/s1
InChIKeyYCBCESKQWHVPTP-IAISJRAMSA-N
MW399.40 g/mol
LogP2.94
Rot. Bonds4

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

2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 162390709) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID162390709
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name2-[6-[[(1R,3S,5S)-6,6-difluoro-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(F)(F)[C@H](C2)N3)nn1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)10-12-7-14(9-18(20)24-12)29-19-4-3-16(25-26-19)15-2-1-13(8-17(15)28)27-6-5-23-11-27/h1-6,8,11-12,14,18,24,28H,7,9-10H2/t12-,14+,18+/m1/s1
InChIKeyYCBCESKQWHVPTP-IAISJRAMSA-N
XLogP2.94
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-34
CID 178347942
US20260028352, Example I-39
CID 178347947
US20260028352, Example I-49
CID 178347957
US20260028352, Example I-56
CID 178347963
US20260028352, Example I-65
CID 178347972
US20260028352, Example I-68
CID 178347975
US20260028352, Example I-86
CID 178347991
3-[6-[(2-Fluoro-4-pyrazol-1-ylphenyl)methyl]-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane
CID 58414928

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol (CID 162390709) is 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[6-[[(1R,3S,5S)-6,6-difluoro-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(F)(F)[C@H](C2)N3)nn1.
What is the InChIKey of 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is YCBCESKQWHVPTP-IAISJRAMSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-20(22)10-12-7-14(9-18(20)24-12)29-19-4-3-16(25-26-19)15-2-1-13(8-17(15)28)27-6-5-23-11-27/h1-6,8,11-12,14,18,24,28H,7,9-10H2/t12-,14+,18+/m1/s1.
What are the key properties of 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol?
2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 399.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,3S,5S)-6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 162390709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).