2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol

C21H20FN5O2 — CID 167360591

IUPAC2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
SMILESCc1ccn(-c2ccc(-c3ccc(OC4CC5C=C(F)C(C4)N5)nn3)c(O)c2)n1
InChIInChI=1S/C21H20FN5O2/c1-12-6-7-27(26-12)14-2-3-16(20(28)10-14)18-4-5-21(25-24-18)29-15-8-13-9-17(22)19(11-15)23-13/h2-7,9-10,13,15,19,23,28H,8,11H2,1H3
InChIKeyATYBPQZUEUAMMB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.08
Rot. Bonds4

About 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol

2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol (PubChem CID 167360591) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
PubChem CID167360591
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
SMILESCc1ccn(-c2ccc(-c3ccc(OC4CC5C=C(F)C(C4)N5)nn3)c(O)c2)n1
InChIInChI=1S/C21H20FN5O2/c1-12-6-7-27(26-12)14-2-3-16(20(28)10-14)18-4-5-21(25-24-18)29-15-8-13-9-17(22)19(11-15)23-13/h2-7,9-10,13,15,19,23,28H,8,11H2,1H3
InChIKeyATYBPQZUEUAMMB-UHFFFAOYSA-N
XLogP3.08
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-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-[(2-fluoro-6,7-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 167360414
2-[6-[(6-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 167369302
2-[6-[(2,6-difluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 167360602
2-[6-[(2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 167360710
5-(3-methylpyrazol-1-yl)-2-[6-[(2,6,6-trifluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]phenol
CID 167360499
5-(3-methylpyrazol-1-yl)-2-[5-[(6,7,8-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]-1,3,4-thiadiazol-2-yl]phenol
CID 167369007
2-[6-[[(1R,3S,5S,6S)-6-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167360510
2-[6-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(5-methyltetrazol-1-yl)phenol
CID 154983348
5-(3-methylpyrazol-1-yl)-2-[5-[(6,7,8-trifluoro-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxy]-1,3,4-thiadiazol-2-yl]phenol
CID 167368874
2-[5-[(6,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazol-2-yl]-5-(3-methylpyrazol-1-yl)phenol
CID 165008609
3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine
CID 140634406
2-[6-[[(1R,3S,5S,6R)-1,5-dideuterio-6-fluoro-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 167370041

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
The IUPAC name of 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol (CID 167360591) is 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol.
What is the SMILES notation for 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
The canonical SMILES for 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol is Cc1ccn(-c2ccc(-c3ccc(OC4CC5C=C(F)C(C4)N5)nn3)c(O)c2)n1.
What is the InChIKey of 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
The InChIKey is ATYBPQZUEUAMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12-6-7-27(26-12)14-2-3-16(20(28)10-14)18-4-5-21(25-24-18)29-15-8-13-9-17(22)19(11-15)23-13/h2-7,9-10,13,15,19,23,28H,8,11H2,1H3.
What are the key properties of 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol has a molecular weight of 393.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-fluoro-8-azabicyclo[3.2.1]oct-6-en-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 167360591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).