(3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H20F4N4O2 — CID 118939587

IUPAC(3-fluoro-2-pyrimidin-2-ylphenyl)-[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)c1cccc(F)c1-c1ncccn1
InChIInChI=1S/C24H20F4N4O2/c1-13-14-10-18(19(11-14)34-20-7-6-15(12-31-20)24(26,27)28)32(13)23(33)16-4-2-5-17(25)21(16)22-29-8-3-9-30-22/h2-9,12-14,18-19H,10-11H2,1H3
InChIKeyBGYQUYGGTDOQRJ-UHFFFAOYSA-N
MW472.44 g/mol
LogP4.77
Rot. Bonds4

About (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 118939587) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID118939587
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC Name(3-fluoro-2-pyrimidin-2-ylphenyl)-[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)c1cccc(F)c1-c1ncccn1
InChIInChI=1S/C24H20F4N4O2/c1-13-14-10-18(19(11-14)34-20-7-6-15(12-31-20)24(26,27)28)32(13)23(33)16-4-2-5-17(25)21(16)22-29-8-3-9-30-22/h2-9,12-14,18-19H,10-11H2,1H3
InChIKeyBGYQUYGGTDOQRJ-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 (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 118939587) is (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (3-fluoro-2-pyrimidin-2-ylphenyl)-[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)c1cccc(F)c1-c1ncccn1.
What is the InChIKey of (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is BGYQUYGGTDOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c1-13-14-10-18(19(11-14)34-20-7-6-15(12-31-20)24(26,27)28)32(13)23(33)16-4-2-5-17(25)21(16)22-29-8-3-9-30-22/h2-9,12-14,18-19H,10-11H2,1H3.
What are the key properties of (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(3-fluoro-2-pyrimidin-2-ylphenyl)-[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 (3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 118939587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).