6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile

C73H65FN14O4 — CID 158231674

About 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile

6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile (PubChem CID 158231674) has the molecular formula C73H65FN14O4 and a molecular weight of 1221.41 g/mol. Its IUPAC name is 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile
• PubChem CID: 158231674
• Molecular Formula: C73H65FN14O4
• Molecular Weight: 1221.41 g/mol
• Exact Mass: 1220.53
• IUPAC Name: 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile
• SMILES: Cc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C#N)cn2)C3)c1-c1ncccn1.Cc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C#N)cn2)C3)c1-c1ncco1.N#Cc1ccc(CC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)nc1
• InChI: InChI=1S/C25H23N5O.C24H20FN5O.C24H22N4O2/c1-16-4-2-5-21(23(16)24-27-10-3-11-28-24)25(31)30-20-8-9-22(30)18(13-20)12-19-7-6-17(14-26)15-29-19;25-20-4-1-3-19(22(20)23-27-9-2-10-28-23)24(31)30-18-7-8-21(30)16(12-18)11-17-6-5-15(13-26)14-29-17;1-15-3-2-4-20(22(15)23-26-9-10-30-23)24(29)28-19-7-8-21(28)17(12-19)11-18-6-5-16(13-25)14-27-18/h2-7,10-11,15,18,20,22H,8-9,12-13H2,1H3;1-6,9-10,14,16,18,21H,7-8,11-12H2;2-6,9-10,14,17,19,21H,7-8,11-12H2,1H3
• InChIKey: GELJYAOIUYZLJS-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 248.56 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.41
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile (CID 158231674) is 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile is Cc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C#N)cn2)C3)c1-c1ncccn1.Cc1cccc(C(=O)N2C3CCC2C(Cc2ccc(C#N)cn2)C3)c1-c1ncco1.N#Cc1ccc(CC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)nc1.

What is the InChIKey of 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile?

The InChIKey is GELJYAOIUYZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O.C24H20FN5O.C24H22N4O2/c1-16-4-2-5-21(23(16)24-27-10-3-11-28-24)25(31)30-20-8-9-22(30)18(13-20)12-19-7-6-17(14-26)15-29-19;25-20-4-1-3-19(22(20)23-27-9-2-10-28-23)24(31)30-18-7-8-21(30)16(12-18)11-17-6-5-15(13-26)14-29-17;1-15-3-2-4-20(22(15)23-26-9-10-30-23)24(29)28-19-7-8-21(28)17(12-19)11-18-6-5-16(13-25)14-27-18/h2-7,10-11,15,18,20,22H,8-9,12-13H2,1H3;1-6,9-10,14,16,18,21H,7-8,11-12H2;2-6,9-10,14,17,19,21H,7-8,11-12H2,1H3.

What are the key properties of 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile?

6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 1221.41 g/mol, XLogP of 11.89, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[7-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-[3-methyl-2-(1,3-oxazol-2-yl)benzoyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile;6-[[7-(3-methyl-2-pyrimidin-2-ylbenzoyl)-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 158231674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).