[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C91H86F4N20O8 — CID 158707258

About [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 158707258) has the molecular formula C91H86F4N20O8 and a molecular weight of 1663.81 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 158707258
• Molecular Formula: C91H86F4N20O8
• Molecular Weight: 1663.81 g/mol
• Exact Mass: 1662.69
• IUPAC Name: [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: Cc1ccc(OC2CC3CC2N(C(=O)c2cc(C)cnc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nccc(C)c2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-c2ncc(F)cn2)C3)nc1
• InChI: InChI=1S/3C23H22FN5O2.C22H20FN5O2/c1-13-3-6-20(25-9-13)31-19-8-15-7-18(19)29(12-15)23(30)21-17(5-4-14(2)28-21)22-26-10-16(24)11-27-22;1-13-3-4-20(25-8-13)31-19-7-15-6-18(19)29(12-15)23(30)17-5-14(2)9-26-21(17)22-27-10-16(24)11-28-22;1-13-3-4-19(26-9-13)31-18-8-15-7-17(18)29(12-15)23(30)21-20(14(2)5-6-25-21)22-27-10-16(24)11-28-22;1-13-4-5-19(25-9-13)30-18-8-14-7-17(18)28(12-14)22(29)20-16(3-2-6-24-20)21-26-10-15(23)11-27-21/h3-6,9-11,15,18-19H,7-8,12H2,1-2H3;3-5,8-11,15,18-19H,6-7,12H2,1-2H3;3-6,9-11,15,17-18H,7-8,12H2,1-2H3;2-6,9-11,14,17-18H,7-8,12H2,1H3
• InChIKey: IIGPWCGSOZJFOT-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 324.40 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.81
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 158707258) is [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2cc(C)cnc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nccc(C)c2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-c2ncc(F)cn2)C3)nc1.

What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is IIGPWCGSOZJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H22FN5O2.C22H20FN5O2/c1-13-3-6-20(25-9-13)31-19-8-15-7-18(19)29(12-15)23(30)21-17(5-4-14(2)28-21)22-26-10-16(24)11-27-22;1-13-3-4-20(25-8-13)31-19-7-15-6-18(19)29(12-15)23(30)17-5-14(2)9-26-21(17)22-27-10-16(24)11-28-22;1-13-3-4-19(26-9-13)31-18-8-15-7-17(18)29(12-15)23(30)21-20(14(2)5-6-25-21)22-27-10-16(24)11-28-22;1-13-4-5-19(25-9-13)30-18-8-14-7-17(18)28(12-14)22(29)20-16(3-2-6-24-20)21-26-10-15(23)11-27-21/h3-6,9-11,15,18-19H,7-8,12H2,1-2H3;3-5,8-11,15,18-19H,6-7,12H2,1-2H3;3-6,9-11,15,17-18H,7-8,12H2,1-2H3;2-6,9-11,14,17-18H,7-8,12H2,1H3.

What are the key properties of [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

[2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 1663.81 g/mol, XLogP of 13.18, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-fluoropyrimidin-2-yl)-5-methyl-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-4-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-6-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[3-(5-fluoropyrimidin-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 158707258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).