6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide

C24H27N5O3 — CID 90620619

About 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide (PubChem CID 90620619) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide.

Molecular Properties

• Compound Name: 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide
• PubChem CID: 90620619
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide
• SMILES: Cc1cc2ncc(CCCNC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cn2n1
• InChI: InChI=1S/C24H27N5O3/c1-17-14-21-26-15-18(16-29(21)27-17)8-7-12-25-22(30)11-3-2-6-13-28-23(31)19-9-4-5-10-20(19)24(28)32/h4-5,9-10,14-16H,2-3,6-8,11-13H2,1H3,(H,25,30)
• InChIKey: CRALGFLGUYCGSY-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 96.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide?

The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide (CID 90620619) is 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide.

What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide?

The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide is Cc1cc2ncc(CCCNC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cn2n1.

What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide?

The InChIKey is CRALGFLGUYCGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17-14-21-26-15-18(16-29(21)27-17)8-7-12-25-22(30)11-3-2-6-13-28-23(31)19-9-4-5-10-20(19)24(28)32/h4-5,9-10,14-16H,2-3,6-8,11-13H2,1H3,(H,25,30).

What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide?

6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide has a molecular weight of 433.51 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide is sourced from PubChem (CID 90620619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).