5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one

C₂₃H₂₃N₇O₃ — CID 157417948

About 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one

5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one (PubChem CID 157417948) has the molecular formula C₂₃H₂₃N₇O₃ and a molecular weight of 445.48 g/mol. Its IUPAC name is 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
• PubChem CID: 157417948
• Molecular Formula: C₂₃H₂₃N₇O₃
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.19
• IUPAC Name: 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
• SMILES: Cc1cnc2ccc(-c3nc(C(=O)CCC4CCC(=O)N4C)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C23H23N7O3/c1-13-11-26-17-7-3-14(12-30(13)17)19-21(23-25-9-10-33-23)28-22(24)20(27-19)16(31)6-4-15-5-8-18(32)29(15)2/h3,7,9-12,15H,4-6,8H2,1-2H3,(H2,24,28)
• InChIKey: BPBLQNVUTKWQRC-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 132.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?

The IUPAC name of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one (CID 157417948) is 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one.

What is the SMILES notation for 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?

The canonical SMILES for 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one is Cc1cnc2ccc(-c3nc(C(=O)CCC4CCC(=O)N4C)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?

The InChIKey is BPBLQNVUTKWQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-13-11-26-17-7-3-14(12-30(13)17)19-21(23-25-9-10-33-23)28-22(24)20(27-19)16(31)6-4-15-5-8-18(32)29(15)2/h3,7,9-12,15H,4-6,8H2,1-2H3,(H2,24,28).

What are the key properties of 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one?

5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one has a molecular weight of 445.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 157417948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157417948 — identifiers, structure, computed properties (public domain)

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