[2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C62H60F8N12O5S — CID 161412245

About [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 161412245) has the molecular formula C62H60F8N12O5S and a molecular weight of 1237.29 g/mol. Its IUPAC name is [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

• Compound Name: [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
• PubChem CID: 161412245
• Molecular Formula: C62H60F8N12O5S
• Molecular Weight: 1237.29 g/mol
• Exact Mass: 1236.44
• IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
• SMILES: COc1c(F)cccc1C(=O)N1C2CCC1C(Cc1nc(C)cc(C)n1)C2.Cc1nc2sccn2c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
• InChI: InChI=1S/C22H18F4N4O2.C21H24FN3O2.C19H18F3N5OS/c23-16-3-1-2-15(19(16)20-27-6-7-32-20)21(31)30-14-4-5-17(30)12(9-14)8-13-10-29-18(11-28-13)22(24,25)26;1-12-9-13(2)24-19(23-12)11-14-10-15-7-8-18(14)25(15)21(26)16-5-4-6-17(22)20(16)27-3;1-10-16(26-4-5-29-18(26)25-10)17(28)27-13-2-3-14(27)11(7-13)6-12-8-24-15(9-23-12)19(20,21)22/h1-3,6-7,10-12,14,17H,4-5,8-9H2;4-6,9,14-15,18H,7-8,10-11H2,1-3H3;4-5,8-9,11,13-14H,2-3,6-7H2,1H3
• InChIKey: VVPUTNOSFPXQMX-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 190.83 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1237.29
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 161412245) is [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

What is the SMILES notation for [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The canonical SMILES for [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is COc1c(F)cccc1C(=O)N1C2CCC1C(Cc1nc(C)cc(C)n1)C2.Cc1nc2sccn2c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.O=C(c1cccc(F)c1-c1ncco1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.

What is the InChIKey of [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The InChIKey is VVPUTNOSFPXQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2.C21H24FN3O2.C19H18F3N5OS/c23-16-3-1-2-15(19(16)20-27-6-7-32-20)21(31)30-14-4-5-17(30)12(9-14)8-13-10-29-18(11-28-13)22(24,25)26;1-12-9-13(2)24-19(23-12)11-14-10-15-7-8-18(14)25(15)21(26)16-5-4-6-17(22)20(16)27-3;1-10-16(26-4-5-29-18(26)25-10)17(28)27-13-2-3-14(27)11(7-13)6-12-8-24-15(9-23-12)19(20,21)22/h1-3,6-7,10-12,14,17H,4-5,8-9H2;4-6,9,14-15,18H,7-8,10-11H2,1-3H3;4-5,8-9,11,13-14H,2-3,6-7H2,1H3.

What are the key properties of [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

[2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1237.29 g/mol, XLogP of 11.75, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4,6-dimethylpyrimidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-methoxyphenyl)methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 161412245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).