1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C23H25N7O — CID 139543400

About 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 139543400) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
• PubChem CID: 139543400
• Molecular Formula: C23H25N7O
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.21
• IUPAC Name: 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
• SMILES: CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1
• InChI: InChI=1S/C23H25N7O/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18/h6-9,12,15H,4-5,10-11,13H2,1-3H3
• InChIKey: SCZNBFDJYASKAP-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 73.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?

The IUPAC name of 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 139543400) is 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

What is the SMILES notation for 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?

The canonical SMILES for 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1.

What is the InChIKey of 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?

The InChIKey is SCZNBFDJYASKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18/h6-9,12,15H,4-5,10-11,13H2,1-3H3.

What are the key properties of 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?

1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 415.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 139543400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).