2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol

C22H22FN5O2 — CID 167360458

IUPAC2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
SMILESCc1ccn(-c2ccc(-c3ccc(OC4CC5NC(C4)C4(F)CC54)nn3)c(O)c2)n1
InChIInChI=1S/C22H22FN5O2/c1-12-6-7-28(27-12)13-2-3-15(19(29)8-13)17-4-5-21(26-25-17)30-14-9-18-16-11-22(16,23)20(10-14)24-18/h2-8,14,16,18,20,24,29H,9-11H2,1H3
InChIKeyFLWYPAMUFATQMT-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.95
Rot. Bonds4

About 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol

2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol (PubChem CID 167360458) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
PubChem CID167360458
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
SMILESCc1ccn(-c2ccc(-c3ccc(OC4CC5NC(C4)C4(F)CC54)nn3)c(O)c2)n1
InChIInChI=1S/C22H22FN5O2/c1-12-6-7-28(27-12)13-2-3-15(19(29)8-13)17-4-5-21(26-25-17)30-14-9-18-16-11-22(16,23)20(10-14)24-18/h2-8,14,16,18,20,24,29H,9-11H2,1H3
InChIKeyFLWYPAMUFATQMT-UHFFFAOYSA-N
XLogP2.95
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
The IUPAC name of 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol (CID 167360458) is 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol.
What is the SMILES notation for 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
The canonical SMILES for 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol is Cc1ccn(-c2ccc(-c3ccc(OC4CC5NC(C4)C4(F)CC54)nn3)c(O)c2)n1.
What is the InChIKey of 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
The InChIKey is FLWYPAMUFATQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-12-6-7-28(27-12)13-2-3-15(19(29)8-13)17-4-5-21(26-25-17)30-14-9-18-16-11-22(16,23)20(10-14)24-18/h2-8,14,16,18,20,24,29H,9-11H2,1H3.
What are the key properties of 2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol?
2-[6-[(2-fluoro-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol has a molecular weight of 407.45 g/mol, XLogP of 2.95, 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-9-azatricyclo[3.3.1.02,4]nonan-7-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 167360458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).