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

C23H24FN5O2 — CID 167360414

IUPAC2-[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
SMILESCC1=C(C)C2NC1CC(Oc1ccc(-c3ccc(-n4ccc(C)n4)cc3O)nn1)C2F
InChIInChI=1S/C23H24FN5O2/c1-12-8-9-29(28-12)15-4-5-16(19(30)10-15)17-6-7-21(27-26-17)31-20-11-18-13(2)14(3)23(25-18)22(20)24/h4-10,18,20,22-23,25,30H,11H2,1-3H3
InChIKeyFLTYWLMWNYPXLV-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.51
Rot. Bonds4

About 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

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 (PubChem CID 167360414) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167360414
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[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
SMILESCC1=C(C)C2NC1CC(Oc1ccc(-c3ccc(-n4ccc(C)n4)cc3O)nn1)C2F
InChIInChI=1S/C23H24FN5O2/c1-12-8-9-29(28-12)15-4-5-16(19(30)10-15)17-6-7-21(27-26-17)31-20-11-18-13(2)14(3)23(25-18)22(20)24/h4-10,18,20,22-23,25,30H,11H2,1-3H3
InChIKeyFLTYWLMWNYPXLV-UHFFFAOYSA-N
XLogP3.51
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C)C2NC1CC(Oc1ccc(-c3ccc(-n4ccc(C)n4)cc3O)nn1)C2F.
What is the InChIKey of 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?
The InChIKey is FLTYWLMWNYPXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-12-8-9-29(28-12)15-4-5-16(19(30)10-15)17-6-7-21(27-26-17)31-20-11-18-13(2)14(3)23(25-18)22(20)24/h4-10,18,20,22-23,25,30H,11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 421.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).