[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C68H57F10N13O7 — CID 159985534

IUPAC[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cccc(C(=O)N2C3CCC2C(Oc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1.Cc1cccc(C(=O)N2C3CCC2C(Oc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1ccccc1-c1ncc(F)cn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2
InChIInChI=1S/C24H21F3N4O2.C22H17F4N5O2.C22H19F3N4O3/c1-14-5-4-6-17(21(14)18-7-2-3-10-28-18)22(32)31-16-8-9-19(31)20(11-16)33-23-29-12-15(13-30-23)24(25,26)27;23-13-10-27-19(28-11-13)15-3-1-2-4-16(15)20(32)31-14-5-6-17(31)18(7-14)33-21-29-8-12(9-30-21)22(24,25)26;1-12-3-2-4-15(18(12)19-26-7-8-31-19)20(30)29-14-5-6-16(29)17(9-14)32-21-27-10-13(11-28-21)22(23,24)25/h2-7,10,12-13,16,19-20H,8-9,11H2,1H3;1-4,8-11,14,17-18H,5-7H2;2-4,7-8,10-11,14,16-17H,5-6,9H2,1H3
InChIKeyOGHAJLOFFKGXEU-UHFFFAOYSA-N
MW1358.27 g/mol
LogP12.89
Rot. Bonds12

About [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 159985534) has the molecular formula C68H57F10N13O7 and a molecular weight of 1358.27 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID159985534
Molecular FormulaC68H57F10N13O7
Molecular Weight1358.27 g/mol
Exact Mass1357.43
IUPAC Name[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cccc(C(=O)N2C3CCC2C(Oc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1.Cc1cccc(C(=O)N2C3CCC2C(Oc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1ccccc1-c1ncc(F)cn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2
InChIInChI=1S/C24H21F3N4O2.C22H17F4N5O2.C22H19F3N4O3/c1-14-5-4-6-17(21(14)18-7-2-3-10-28-18)22(32)31-16-8-9-19(31)20(11-16)33-23-29-12-15(13-30-23)24(25,26)27;23-13-10-27-19(28-11-13)15-3-1-2-4-16(15)20(32)31-14-5-6-17(31)18(7-14)33-21-29-8-12(9-30-21)22(24,25)26;1-12-3-2-4-15(18(12)19-26-7-8-31-19)20(30)29-14-5-6-16(29)17(9-14)32-21-27-10-13(11-28-21)22(23,24)25/h2-7,10,12-13,16,19-20H,8-9,11H2,1H3;1-4,8-11,14,17-18H,5-7H2;2-4,7-8,10-11,14,16-17H,5-6,9H2,1H3
InChIKeyOGHAJLOFFKGXEU-UHFFFAOYSA-N
XLogP12.89
TPSA230.66 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms98
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.27
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 159985534) is [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cccc(C(=O)N2C3CCC2C(Oc2ncc(C(F)(F)F)cn2)C3)c1-c1ccccn1.Cc1cccc(C(=O)N2C3CCC2C(Oc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1ccccc1-c1ncc(F)cn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is OGHAJLOFFKGXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2.C22H17F4N5O2.C22H19F3N4O3/c1-14-5-4-6-17(21(14)18-7-2-3-10-28-18)22(32)31-16-8-9-19(31)20(11-16)33-23-29-12-15(13-30-23)24(25,26)27;23-13-10-27-19(28-11-13)15-3-1-2-4-16(15)20(32)31-14-5-6-17(31)18(7-14)33-21-29-8-12(9-30-21)22(24,25)26;1-12-3-2-4-15(18(12)19-26-7-8-31-19)20(30)29-14-5-6-16(29)17(9-14)32-21-27-10-13(11-28-21)22(23,24)25/h2-7,10,12-13,16,19-20H,8-9,11H2,1H3;1-4,8-11,14,17-18H,5-7H2;2-4,7-8,10-11,14,16-17H,5-6,9H2,1H3.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1358.27 g/mol, XLogP of 12.89, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 159985534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).