[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone

C26H23F3N4O2 — CID 139504462

IUPAC[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
SMILESCc1cnc(C(=O)N2CC3CC34CC(Oc3ccc(C(F)(F)F)cn3)C24)c(-c2ncccc2C)c1
InChIInChI=1S/C26H23F3N4O2/c1-14-8-18(21-15(2)4-3-7-30-21)22(32-11-14)24(34)33-13-17-9-25(17)10-19(23(25)33)35-20-6-5-16(12-31-20)26(27,28)29/h3-8,11-12,17,19,23H,9-10,13H2,1-2H3
InChIKeyWSTFFKHMKWBAAG-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.86
Rot. Bonds4

About [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone

[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone (PubChem CID 139504462) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone.

Molecular Properties

Compound Name[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
PubChem CID139504462
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
SMILESCc1cnc(C(=O)N2CC3CC34CC(Oc3ccc(C(F)(F)F)cn3)C24)c(-c2ncccc2C)c1
InChIInChI=1S/C26H23F3N4O2/c1-14-8-18(21-15(2)4-3-7-30-21)22(32-11-14)24(34)33-13-17-9-25(17)10-19(23(25)33)35-20-6-5-16(12-31-20)26(27,28)29/h3-8,11-12,17,19,23H,9-10,13H2,1-2H3
InChIKeyWSTFFKHMKWBAAG-UHFFFAOYSA-N
XLogP4.86
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[(1S,4S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702453
[3-[amino-[(Z)-2-aminoethenyl]amino]-5-methyl-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504510
[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]amino]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504885
[7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 139504846
[2-(5-fluoropyrimidin-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504737
(2-pyridin-3-ylphenyl)-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 139504344
[6-methyl-2-(1,3-thiazol-2-yl)-3-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone
CID 123753312
(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175896473
[7-[(5-bromo-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 123380852
[7-[(5-bromo-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 123403268
[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414265
[2-(3-fluoro-2-pyridinyl)-5-methyl-3-pyridinyl]-[(1S,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 175790603

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The IUPAC name of [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone (CID 139504462) is [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone.
What is the SMILES notation for [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The canonical SMILES for [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone is Cc1cnc(C(=O)N2CC3CC34CC(Oc3ccc(C(F)(F)F)cn3)C24)c(-c2ncccc2C)c1.
What is the InChIKey of [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
The InChIKey is WSTFFKHMKWBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-14-8-18(21-15(2)4-3-7-30-21)22(32-11-14)24(34)33-13-17-9-25(17)10-19(23(25)33)35-20-6-5-16(12-31-20)26(27,28)29/h3-8,11-12,17,19,23H,9-10,13H2,1-2H3.
What are the key properties of [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone?
[5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone has a molecular weight of 480.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]methanone is sourced from PubChem (CID 139504462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).