3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide

C40H45N11O6 — CID 156551364

About 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide

3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 156551364) has the molecular formula C40H45N11O6 and a molecular weight of 775.87 g/mol. Its IUPAC name is 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 156551364
• Molecular Formula: C40H45N11O6
• Molecular Weight: 775.87 g/mol
• Exact Mass: 775.36
• IUPAC Name: 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: NC(=O)c1ncc(N2CCC[C@@H](N3CCCC3=O)C2)nc1Nc1ccc(N2CC(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)nc1
• InChI: InChI=1S/C40H45N11O6/c41-36(54)35-37(45-32(19-43-35)48-13-1-3-27(22-48)50-14-2-4-34(50)53)44-25-5-9-31(42-18-25)49-20-24(21-49)23-11-15-47(16-12-23)26-6-7-28-29(17-26)40(57)51(39(28)56)30-8-10-33(52)46-38(30)55/h5-7,9,17-19,23-24,27,30H,1-4,8,10-16,20-22H2,(H2,41,54)(H,44,45)(H,46,52,55)/t27-,30?/m1/s1
• InChIKey: BQJVXKNMQOYEJW-NHQUYOMTSA-N
• XLogP: 2.06
• TPSA: 207.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.87
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide (CID 156551364) is 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCC[C@@H](N3CCCC3=O)C2)nc1Nc1ccc(N2CC(C3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)nc1.

What is the InChIKey of 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is BQJVXKNMQOYEJW-NHQUYOMTSA-N. The full InChI is InChI=1S/C40H45N11O6/c41-36(54)35-37(45-32(19-43-35)48-13-1-3-27(22-48)50-14-2-4-34(50)53)44-25-5-9-31(42-18-25)49-20-24(21-49)23-11-15-47(16-12-23)26-6-7-28-29(17-26)40(57)51(39(28)56)30-8-10-33(52)46-38(30)55/h5-7,9,17-19,23-24,27,30H,1-4,8,10-16,20-22H2,(H2,41,54)(H,44,45)(H,46,52,55)/t27-,30?/m1/s1.

What are the key properties of 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?

3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 775.87 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]azetidin-1-yl]-3-pyridinyl]amino]-5-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 156551364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).