(6-methoxy-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

C29H32N6O2 — CID 149495189

About (6-methoxy-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-methoxy-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 149495189) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is (6-methoxy-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-methoxy-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: 149495189
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: (6-methoxy-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: COc1cccc(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(C(C)C)cc3)nc3ncccn23)n1
• InChI: InChI=1S/C29H32N6O2/c1-19(2)20-8-10-21(11-9-20)27-25(34-15-5-14-30-29(34)32-27)18-33-16-23-13-12-22(33)17-35(23)28(36)24-6-4-7-26(31-24)37-3/h4-11,14-15,19,22-23H,12-13,16-18H2,1-3H3
• InChIKey: ZFWOCSNMCZJTDA-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 75.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-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-methoxy-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 149495189) is (6-methoxy-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-methoxy-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-methoxy-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 COc1cccc(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(C(C)C)cc3)nc3ncccn23)n1.

What is the InChIKey of (6-methoxy-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 ZFWOCSNMCZJTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-19(2)20-8-10-21(11-9-20)27-25(34-15-5-14-30-29(34)32-27)18-33-16-23-13-12-22(33)17-35(23)28(36)24-6-4-7-26(31-24)37-3/h4-11,14-15,19,22-23H,12-13,16-18H2,1-3H3.

What are the key properties of (6-methoxy-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-methoxy-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 496.62 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxy-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 149495189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).