7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C38H38N10O4 — CID 178005867

About 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 178005867) has the molecular formula C38H38N10O4 and a molecular weight of 698.79 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 178005867
• Molecular Formula: C38H38N10O4
• Molecular Weight: 698.79 g/mol
• Exact Mass: 698.31
• IUPAC Name: 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(-n4cc5c(c4)CN(c4ccc6c(c4)CN([C@@H]4CCC(=O)NC4=O)C6=O)C5)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C38H38N10O4/c1-44(2)37(52)31-14-22-15-40-38(43-34(22)48(31)26-5-3-4-6-26)41-32-11-8-28(16-39-32)46-19-24-17-45(18-25(24)20-46)27-7-9-29-23(13-27)21-47(36(29)51)30-10-12-33(49)42-35(30)50/h7-9,11,13-16,19-20,26,30H,3-6,10,12,17-18,21H2,1-2H3,(H,42,49,50)(H,39,40,41,43)/t30-/m1/s1
• InChIKey: PZIBDGYHARCRLS-SSEXGKCCSA-N
• XLogP: 4.46
• TPSA: 150.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.79
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 178005867) is 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(-n4cc5c(c4)CN(c4ccc6c(c4)CN([C@@H]4CCC(=O)NC4=O)C6=O)C5)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is PZIBDGYHARCRLS-SSEXGKCCSA-N. The full InChI is InChI=1S/C38H38N10O4/c1-44(2)37(52)31-14-22-15-40-38(43-34(22)48(31)26-5-3-4-6-26)41-32-11-8-28(16-39-32)46-19-24-17-45(18-25(24)20-46)27-7-9-29-23(13-27)21-47(36(29)51)30-10-12-33(49)42-35(30)50/h7-9,11,13-16,19-20,26,30H,3-6,10,12,17-18,21H2,1-2H3,(H,42,49,50)(H,39,40,41,43)/t30-/m1/s1.

What are the key properties of 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 698.79 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[2-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 178005867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).