5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one

C₂₉H₂₈N₆O₂ — CID 67120783

About 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one

5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one (PubChem CID 67120783) has the molecular formula C₂₉H₂₈N₆O₂ and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one.

Molecular Properties

• Compound Name: 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
• PubChem CID: 67120783
• Molecular Formula: C₂₉H₂₈N₆O₂
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.23
• IUPAC Name: 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
• SMILES: CC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1
• InChI: InChI=1S/C29H28N6O2/c1-19(2)33-13-15-34(16-14-33)29(37)20-3-6-23(7-4-20)32-25-9-10-26(35-12-11-30-27(25)35)21-5-8-24-22(17-21)18-31-28(24)36/h3-12,17-19,32H,13-16H2,1-2H3
• InChIKey: IXIINUPLBXUOKJ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 82.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?

The IUPAC name of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one (CID 67120783) is 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one.

What is the SMILES notation for 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?

The canonical SMILES for 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one is CC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1.

What is the InChIKey of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?

The InChIKey is IXIINUPLBXUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-19(2)33-13-15-34(16-14-33)29(37)20-3-6-23(7-4-20)32-25-9-10-26(35-12-11-30-27(25)35)21-5-8-24-22(17-21)18-31-28(24)36/h3-12,17-19,32H,13-16H2,1-2H3.

What are the key properties of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?

5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one has a molecular weight of 492.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one is sourced from PubChem (CID 67120783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67120783 — identifiers, structure, computed properties (public domain)

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