[6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone

C29H30F2N6O2 — CID 148932241

About [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone

[6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 148932241) has the molecular formula C29H30F2N6O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
• PubChem CID: 148932241
• Molecular Formula: C29H30F2N6O2
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.24
• IUPAC Name: [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
• SMILES: CC(C)c1ccc(-c2nc3ncccn3c2CN2CC3CCC2CN3C(=O)c2cccc(OC(F)F)n2)cc1
• InChI: InChI=1S/C29H30F2N6O2/c1-18(2)19-7-9-20(10-8-19)26-24(36-14-4-13-32-29(36)34-26)17-35-15-22-12-11-21(35)16-37(22)27(38)23-5-3-6-25(33-23)39-28(30)31/h3-10,13-14,18,21-22,28H,11-12,15-17H2,1-2H3
• InChIKey: PMDZYSBRJCKJBX-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 75.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?

The IUPAC name of [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone (CID 148932241) is [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone.

What is the SMILES notation for [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?

The canonical SMILES for [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone is CC(C)c1ccc(-c2nc3ncccn3c2CN2CC3CCC2CN3C(=O)c2cccc(OC(F)F)n2)cc1.

What is the InChIKey of [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?

The InChIKey is PMDZYSBRJCKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O2/c1-18(2)19-7-9-20(10-8-19)26-24(36-14-4-13-32-29(36)34-26)17-35-15-22-12-11-21(35)16-37(22)27(38)23-5-3-6-25(33-23)39-28(30)31/h3-10,13-14,18,21-22,28H,11-12,15-17H2,1-2H3.

What are the key properties of [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?

[6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 532.60 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(difluoromethoxy)-2-pyridinyl]-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 148932241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).