6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide

C39H41N11O6 — CID 169161840

About 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide

6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide (PubChem CID 169161840) has the molecular formula C39H41N11O6 and a molecular weight of 759.83 g/mol. Its IUPAC name is 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide.

Molecular Properties

• Compound Name: 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide
• PubChem CID: 169161840
• Molecular Formula: C39H41N11O6
• Molecular Weight: 759.83 g/mol
• Exact Mass: 759.32
• IUPAC Name: 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide
• SMILES: Cc1cc(NC(=O)Nc2cnc3ccnn3c2C2CCCC2)cnc1-c1noc(CCCCCC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
• InChI: InChI=1S/C39H41N11O6/c1-22-17-26(44-39(55)45-28-20-40-30-15-16-42-50(30)35(28)23-7-5-6-8-23)19-41-34(22)36-47-33(56-48-36)10-4-2-3-9-31(51)43-25-11-12-27-24(18-25)21-49(38(27)54)29-13-14-32(52)46-37(29)53/h11-12,15-20,23,29H,2-10,13-14,21H2,1H3,(H,43,51)(H2,44,45,55)(H,46,52,53)
• InChIKey: KHYCQHFTOSRMNG-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 218.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.83
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide?

The IUPAC name of 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide (CID 169161840) is 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide.

What is the SMILES notation for 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide?

The canonical SMILES for 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide is Cc1cc(NC(=O)Nc2cnc3ccnn3c2C2CCCC2)cnc1-c1noc(CCCCCC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1.

What is the InChIKey of 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide?

The InChIKey is KHYCQHFTOSRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N11O6/c1-22-17-26(44-39(55)45-28-20-40-30-15-16-42-50(30)35(28)23-7-5-6-8-23)19-41-34(22)36-47-33(56-48-36)10-4-2-3-9-31(51)43-25-11-12-27-24(18-25)21-49(38(27)54)29-13-14-32(52)46-37(29)53/h11-12,15-20,23,29H,2-10,13-14,21H2,1H3,(H,43,51)(H2,44,45,55)(H,46,52,53).

What are the key properties of 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide?

6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide has a molecular weight of 759.83 g/mol, XLogP of 5.29, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[5-[(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]-3-methyl-2-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hexanamide is sourced from PubChem (CID 169161840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).