7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide

C45H56N12O4 — CID 178005547

About 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide

7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide (PubChem CID 178005547) has the molecular formula C45H56N12O4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide
• PubChem CID: 178005547
• Molecular Formula: C45H56N12O4
• Molecular Weight: 829.02 g/mol
• Exact Mass: 828.45
• IUPAC Name: 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CN(c4ccc6c(c4)CN(C4CCC(=O)NC4=O)C6=O)C5)cn3)nc2n1C1CCCC1.[H]/N=C(/C=C/C)N(C)C
• InChI: InChI=1S/C39H44N10O4.C6H12N2/c1-45(2)37(53)31-18-24-19-41-38(44-34(24)49(31)26-5-3-4-6-26)42-32-11-8-28(20-40-32)46-15-13-39(14-16-46)22-47(23-39)27-7-9-29-25(17-27)21-48(36(29)52)30-10-12-33(50)43-35(30)51;1-4-5-6(7)8(2)3/h7-9,11,17-20,26,30H,3-6,10,12-16,21-23H2,1-2H3,(H,43,50,51)(H,40,41,42,44);4-5,7H,1-3H3/b;5-4+,7-6-
• InChIKey: QQACTPSDSBJNHY-NTUVELIKSA-N
• XLogP: 5.36
• TPSA: 175.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	829.02
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide (CID 178005547) is 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide.

What is the SMILES notation for 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide?

The canonical SMILES for 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC5(CC4)CN(c4ccc6c(c4)CN(C4CCC(=O)NC4=O)C6=O)C5)cn3)nc2n1C1CCCC1.[H]/N=C(/C=C/C)N(C)C.

What is the InChIKey of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide?

The InChIKey is QQACTPSDSBJNHY-NTUVELIKSA-N. The full InChI is InChI=1S/C39H44N10O4.C6H12N2/c1-45(2)37(53)31-18-24-19-41-38(44-34(24)49(31)26-5-3-4-6-26)42-32-11-8-28(20-40-32)46-15-13-39(14-16-46)22-47(23-39)27-7-9-29-25(17-27)21-48(36(29)52)30-10-12-33(50)43-35(30)51;1-4-5-6(7)8(2)3/h7-9,11,17-20,26,30H,3-6,10,12-16,21-23H2,1-2H3,(H,43,50,51)(H,40,41,42,44);4-5,7H,1-3H3/b;5-4+,7-6-.

What are the key properties of 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide?

7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide has a molecular weight of 829.02 g/mol, XLogP of 5.36, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(E)-N,N-dimethylbut-2-enimidamide is sourced from PubChem (CID 178005547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).