[2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H20F4N4O2 — CID 118939602

IUPAC[2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCC1C2CC(Oc3ccc(C(F)(F)F)cn3)C(C2)N1C(=O)c1ccccc1-c1ncc(F)cn1
InChIInChI=1S/C24H20F4N4O2/c1-13-14-8-19(20(9-14)34-21-7-6-15(10-29-21)24(26,27)28)32(13)23(33)18-5-3-2-4-17(18)22-30-11-16(25)12-31-22/h2-7,10-14,19-20H,8-9H2,1H3
InChIKeyCIBPBCKZEBEJDS-UHFFFAOYSA-N
MW472.44 g/mol
LogP4.77
Rot. Bonds4

About [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118939602) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID118939602
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC Name[2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCC1C2CC(Oc3ccc(C(F)(F)F)cn3)C(C2)N1C(=O)c1ccccc1-c1ncc(F)cn1
InChIInChI=1S/C24H20F4N4O2/c1-13-14-8-19(20(9-14)34-21-7-6-15(10-29-21)24(26,27)28)32(13)23(33)18-5-3-2-4-17(18)22-30-11-16(25)12-31-22/h2-7,10-14,19-20H,8-9H2,1H3
InChIKeyCIBPBCKZEBEJDS-UHFFFAOYSA-N
XLogP4.77
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Related Compounds

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2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526207
2-[(3R,6R)-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526208
4-[[4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72948667
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 90411960
[2-[(5-Fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 90412585
(R/S)-(3-fluoro-2-(pyrimidin-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90442558
[(2R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 134141417
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 59396033
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-fluoro-6-pyrimidin-2-ylphenyl)methanone
CID 59396042

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118939602) is [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is CC1C2CC(Oc3ccc(C(F)(F)F)cn3)C(C2)N1C(=O)c1ccccc1-c1ncc(F)cn1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is CIBPBCKZEBEJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c1-13-14-8-19(20(9-14)34-21-7-6-15(10-29-21)24(26,27)28)32(13)23(33)18-5-3-2-4-17(18)22-30-11-16(25)12-31-22/h2-7,10-14,19-20H,8-9H2,1H3.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 472.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118939602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).