[2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone

C20H17BrFN5O2 — CID 118880106

IUPAC[2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Oc1ccc(Br)cn1)C2
InChIInChI=1S/C20H17BrFN5O2/c21-12-4-7-18(23-11-12)29-17-10-13-5-6-16(17)26(13)20(28)14-2-1-3-15(22)19(14)27-24-8-9-25-27/h1-4,7-9,11,13,16-17H,5-6,10H2
InChIKeyROAZJKAMRYCKOE-UHFFFAOYSA-N
MW458.29 g/mol
LogP3.39
Rot. Bonds4

About [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone

[2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118880106) has the molecular formula C20H17BrFN5O2 and a molecular weight of 458.29 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
PubChem CID118880106
Molecular FormulaC20H17BrFN5O2
Molecular Weight458.29 g/mol
Exact Mass457.05
IUPAC Name[2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Oc1ccc(Br)cn1)C2
InChIInChI=1S/C20H17BrFN5O2/c21-12-4-7-18(23-11-12)29-17-10-13-5-6-16(17)26(13)20(28)14-2-1-3-15(22)19(14)27-24-8-9-25-27/h1-4,7-9,11,13,16-17H,5-6,10H2
InChIKeyROAZJKAMRYCKOE-UHFFFAOYSA-N
XLogP3.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone 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-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone (CID 118880106) is [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone is O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Oc1ccc(Br)cn1)C2.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is ROAZJKAMRYCKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN5O2/c21-12-4-7-18(23-11-12)29-17-10-13-5-6-16(17)26(13)20(28)14-2-1-3-15(22)19(14)27-24-8-9-25-27/h1-4,7-9,11,13,16-17H,5-6,10H2.
What are the key properties of [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone?
[2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 458.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)oxy]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118880106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).