1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone

C28H24N6O2 — CID 58446911

About 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone

1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone (PubChem CID 58446911) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
• PubChem CID: 58446911
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone
• SMILES: Cn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1
• InChI: InChI=1S/C28H24N6O2/c1-32-26(23(17-29-32)27(36)33-12-6-13-33)25(35)16-22-11-14-34-18-24(31-28(34)30-22)21-10-5-9-20(15-21)19-7-3-2-4-8-19/h2-5,7-11,14-15,17-18H,6,12-13,16H2,1H3
• InChIKey: BFKKTOPCXHPRDC-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 85.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?

The IUPAC name of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone (CID 58446911) is 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone.

What is the SMILES notation for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?

The canonical SMILES for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone is Cn1ncc(C(=O)N2CCC2)c1C(=O)Cc1ccn2cc(-c3cccc(-c4ccccc4)c3)nc2n1.

What is the InChIKey of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?

The InChIKey is BFKKTOPCXHPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-32-26(23(17-29-32)27(36)33-12-6-13-33)25(35)16-22-11-14-34-18-24(31-28(34)30-22)21-10-5-9-20(15-21)19-7-3-2-4-8-19/h2-5,7-11,14-15,17-18H,6,12-13,16H2,1H3.

What are the key properties of 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone?

1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone has a molecular weight of 476.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl]-2-[2-(3-phenylphenyl)imidazo[1,2-a]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 58446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).