[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H23FN6O2 — CID 145041045

IUPAC[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1C2CCC(Oc3cnc4cc(F)ccc4n3)C(C2)N1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C25H23FN6O2/c1-15-16-6-9-23(34-24-14-27-20-13-17(26)7-8-19(20)30-24)22(12-16)31(15)25(33)18-4-2-3-5-21(18)32-28-10-11-29-32/h2-5,7-8,10-11,13-16,22-23H,6,9,12H2,1H3
InChIKeyKTQQACXWLCHNOE-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.81
Rot. Bonds4

About [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone

[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 145041045) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID145041045
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCC1C2CCC(Oc3cnc4cc(F)ccc4n3)C(C2)N1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C25H23FN6O2/c1-15-16-6-9-23(34-24-14-27-20-13-17(26)7-8-19(20)30-24)22(12-16)31(15)25(33)18-4-2-3-5-21(18)32-28-10-11-29-32/h2-5,7-8,10-11,13-16,22-23H,6,9,12H2,1H3
InChIKeyKTQQACXWLCHNOE-UHFFFAOYSA-N
XLogP3.81
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-fluoro-2-(triazol-2-yl)phenyl]-[(1S,3R,4R,6R)-3-methyl-6-quinoxalin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939446
[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939692
[(1S,3S,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939618
[5-fluoro-2-(triazol-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939701
[(6S)-3-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 126762666
[2-fluoro-6-(triazol-2-yl)phenyl]-[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939827
[5-fluoro-2-(triazol-2-yl)phenyl]-[(4R)-4-methyl-3-(2-quinoxalin-2-ylethyl)-2-azabicyclo[3.1.1]heptan-2-yl]methanone
CID 167549383
[(1S,6R)-3-(2-methylpropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118951518
[(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 122184044
(4-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939524
[3-methyl-6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 118940608
[(1S,3R,4R,6R)-6-(1,3-benzoxazol-2-ylamino)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118939673

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 145041045) is [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone is CC1C2CCC(Oc3cnc4cc(F)ccc4n3)C(C2)N1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is KTQQACXWLCHNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-15-16-6-9-23(34-24-14-27-20-13-17(26)7-8-19(20)30-24)22(12-16)31(15)25(33)18-4-2-3-5-21(18)32-28-10-11-29-32/h2-5,7-8,10-11,13-16,22-23H,6,9,12H2,1H3.
What are the key properties of [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone?
[4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 458.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoroquinoxalin-2-yl)oxy-7-methyl-6-azabicyclo[3.2.1]octan-6-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 145041045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).