[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone

C23H23F3N6O2 — CID 118940698

IUPAC[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1cnc(C(=O)N2C(C)C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1
InChIInChI=1S/C23H23F3N6O2/c1-13-9-18(32-29-7-8-30-32)21(28-11-13)22(33)31-14(2)15-3-5-17(31)19(10-15)34-20-6-4-16(12-27-20)23(24,25)26/h4,6-9,11-12,14-15,17,19H,3,5,10H2,1-2H3
InChIKeyUDTAWCYLSSEILE-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.85
Rot. Bonds4

About [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone

[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 118940698) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID118940698
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESCc1cnc(C(=O)N2C(C)C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1
InChIInChI=1S/C23H23F3N6O2/c1-13-9-18(32-29-7-8-30-32)21(28-11-13)22(33)31-14(2)15-3-5-17(31)19(10-15)34-20-6-4-16(12-27-20)23(24,25)26/h4,6-9,11-12,14-15,17,19H,3,5,10H2,1-2H3
InChIKeyUDTAWCYLSSEILE-UHFFFAOYSA-N
XLogP3.85
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 118940698) is [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is Cc1cnc(C(=O)N2C(C)C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1.
What is the InChIKey of [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is UDTAWCYLSSEILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-13-9-18(32-29-7-8-30-32)21(28-11-13)22(33)31-14(2)15-3-5-17(31)19(10-15)34-20-6-4-16(12-27-20)23(24,25)26/h4,6-9,11-12,14-15,17,19H,3,5,10H2,1-2H3.
What are the key properties of [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?
[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 472.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 118940698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).