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

C40H41N7O6 — CID 170612491

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

2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 170612491) has the molecular formula C40H41N7O6 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide
• PubChem CID: 170612491
• Molecular Formula: C40H41N7O6
• Molecular Weight: 715.81 g/mol
• Exact Mass: 715.31
• IUPAC Name: 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(C4CCN(Cc5ccc(CC(=O)Nc6cc([C@H]7CC[C@@H](Oc8ccccn8)C7)[nH]n6)cc5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H41N7O6/c48-35-13-12-33(38(50)43-35)47-39(51)30-11-9-27(21-31(30)40(47)52)26-14-17-46(18-15-26)23-25-6-4-24(5-7-25)19-36(49)42-34-22-32(44-45-34)28-8-10-29(20-28)53-37-3-1-2-16-41-37/h1-7,9,11,16,21-22,26,28-29,33H,8,10,12-15,17-20,23H2,(H,43,48,50)(H2,42,44,45,49)/t28-,29+,33?/m0/s1
• InChIKey: TWSHBVZVLRMOHH-HSKBHFEYSA-N
• XLogP: 4.48
• TPSA: 166.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	715.81
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide?

The IUPAC name of 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 170612491) is 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide.

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

The canonical SMILES for 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide is O=C1CCC(N2C(=O)c3ccc(C4CCN(Cc5ccc(CC(=O)Nc6cc([C@H]7CC[C@@H](Oc8ccccn8)C7)[nH]n6)cc5)CC4)cc3C2=O)C(=O)N1.

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

The InChIKey is TWSHBVZVLRMOHH-HSKBHFEYSA-N. The full InChI is InChI=1S/C40H41N7O6/c48-35-13-12-33(38(50)43-35)47-39(51)30-11-9-27(21-31(30)40(47)52)26-14-17-46(18-15-26)23-25-6-4-24(5-7-25)19-36(49)42-34-22-32(44-45-34)28-8-10-29(20-28)53-37-3-1-2-16-41-37/h1-7,9,11,16,21-22,26,28-29,33H,8,10,12-15,17-20,23H2,(H,43,48,50)(H2,42,44,45,49)/t28-,29+,33?/m0/s1.

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

2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 715.81 g/mol, XLogP of 4.48, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-1-yl]methyl]phenyl]-N-[5-[(1S,3R)-3-pyridin-2-yloxycyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 170612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).