2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide

C40H43N7O5 — CID 170612514

About 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide

2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 170612514) has the molecular formula C40H43N7O5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide
• PubChem CID: 170612514
• Molecular Formula: C40H43N7O5
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.33
• IUPAC Name: 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide
• SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(CC(=O)Nc6cc([C@H]7CC[C@@H](Oc8ccncc8)C7)[nH]n6)cc5)CC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H43N7O5/c48-37-10-9-35(39(50)43-37)47-24-30-20-28(6-8-33(30)40(47)51)27-13-17-46(18-14-27)23-26-3-1-25(2-4-26)19-38(49)42-36-22-34(44-45-36)29-5-7-32(21-29)52-31-11-15-41-16-12-31/h1-4,6,8,11-12,15-16,20,22,27,29,32,35H,5,7,9-10,13-14,17-19,21,23-24H2,(H,43,48,50)(H2,42,44,45,49)/t29-,32+,35?/m0/s1
• InChIKey: REBCBLHEBJHEDO-SWDBJUOJSA-N
• XLogP: 4.84
• TPSA: 149.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide?

The IUPAC name of 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 170612514) is 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide is O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(CC(=O)Nc6cc([C@H]7CC[C@@H](Oc8ccncc8)C7)[nH]n6)cc5)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide?

The InChIKey is REBCBLHEBJHEDO-SWDBJUOJSA-N. The full InChI is InChI=1S/C40H43N7O5/c48-37-10-9-35(39(50)43-37)47-24-30-20-28(6-8-33(30)40(47)51)27-13-17-46(18-14-27)23-26-3-1-25(2-4-26)19-38(49)42-36-22-34(44-45-36)29-5-7-32(21-29)52-31-11-15-41-16-12-31/h1-4,6,8,11-12,15-16,20,22,27,29,32,35H,5,7,9-10,13-14,17-19,21,23-24H2,(H,43,48,50)(H2,42,44,45,49)/t29-,32+,35?/m0/s1.

What are the key properties of 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide?

2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 701.83 g/mol, XLogP of 4.84, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-4-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 170612514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).