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

C23H26FN5O2 — CID 167360710

IUPAC2-[6-[(2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
SMILESCc1ccn(-c2ccc(-c3ccc(OC4CC5(C)CCC(C)(N5)C4F)nn3)c(O)c2)n1
InChIInChI=1S/C23H26FN5O2/c1-14-8-11-29(27-14)15-4-5-16(18(30)12-15)17-6-7-20(26-25-17)31-19-13-22(2)9-10-23(3,28-22)21(19)24/h4-8,11-12,19,21,28,30H,9-10,13H2,1-3H3
InChIKeyFVYMAWXBLGPDPA-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.73
Rot. Bonds4

About 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

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 (PubChem CID 167360710) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[6-[(2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
PubChem CID167360710
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-[6-[(2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol
SMILESCc1ccn(-c2ccc(-c3ccc(OC4CC5(C)CCC(C)(N5)C4F)nn3)c(O)c2)n1
InChIInChI=1S/C23H26FN5O2/c1-14-8-11-29(27-14)15-4-5-16(18(30)12-15)17-6-7-20(26-25-17)31-19-13-22(2)9-10-23(3,28-22)21(19)24/h4-8,11-12,19,21,28,30H,9-10,13H2,1-3H3
InChIKeyFVYMAWXBLGPDPA-UHFFFAOYSA-N
XLogP3.73
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccn(-c2ccc(-c3ccc(OC4CC5(C)CCC(C)(N5)C4F)nn3)c(O)c2)n1.
What is the InChIKey of 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?
The InChIKey is FVYMAWXBLGPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-14-8-11-29(27-14)15-4-5-16(18(30)12-15)17-6-7-20(26-25-17)31-19-13-22(2)9-10-23(3,28-22)21(19)24/h4-8,11-12,19,21,28,30H,9-10,13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 423.49 g/mol, XLogP of 3.73, 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-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-5-(3-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 167360710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).