[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C25H25ClN6O2 — CID 153475150

About [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 153475150) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
• PubChem CID: 153475150
• Molecular Formula: C25H25ClN6O2
• Molecular Weight: 476.97 g/mol
• Exact Mass: 476.17
• IUPAC Name: [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
• SMILES: Cc1nc(C)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(Cl)cc4)nc4ncccn24)C3)o1
• InChI: InChI=1S/C25H25ClN6O2/c1-15-23(34-16(2)28-15)24(33)32-19-8-9-20(32)13-30(12-19)14-21-22(17-4-6-18(26)7-5-17)29-25-27-10-3-11-31(21)25/h3-7,10-11,19-20H,8-9,12-14H2,1-2H3
• InChIKey: BYOPFMQSZFZVGW-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 79.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.97
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?

The IUPAC name of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 153475150) is [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

What is the SMILES notation for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?

The canonical SMILES for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(Cl)cc4)nc4ncccn24)C3)o1.

What is the InChIKey of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?

The InChIKey is BYOPFMQSZFZVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-15-23(34-16(2)28-15)24(33)32-19-8-9-20(32)13-30(12-19)14-21-22(17-4-6-18(26)7-5-17)29-25-27-10-3-11-31(21)25/h3-7,10-11,19-20H,8-9,12-14H2,1-2H3.

What are the key properties of [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?

[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 476.97 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 153475150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).