7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane

C52H76N10O4 — CID 178005217

About 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane

7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane (PubChem CID 178005217) has the molecular formula C52H76N10O4 and a molecular weight of 905.25 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane
• PubChem CID: 178005217
• Molecular Formula: C52H76N10O4
• Molecular Weight: 905.25 g/mol
• Exact Mass: 904.61
• IUPAC Name: 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane
• SMILES: CCC.CCC.CCC.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCN(CC5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C43H52N10O4.3C3H8/c1-49(2)42(57)36-22-30-24-45-43(48-39(30)53(36)32-5-3-4-6-32)46-37-11-7-29(23-44-37)28-15-17-50(18-16-28)25-27-13-19-51(20-14-27)33-8-9-34-31(21-33)26-52(41(34)56)35-10-12-38(54)47-40(35)55;3*1-3-2/h7-9,11,21-24,27-28,32,35H,3-6,10,12-20,25-26H2,1-2H3,(H,47,54,55)(H,44,45,46,48);3*3H2,1-2H3
• InChIKey: YTXCJFNFPPULSO-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 148.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.25
LogP ≤ 5	9.49
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-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane?

The IUPAC name of 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane (CID 178005217) is 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane.

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

The canonical SMILES for 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane is CCC.CCC.CCC.CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCN(CC5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)nc2n1C1CCCC1.

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

The InChIKey is YTXCJFNFPPULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N10O4.3C3H8/c1-49(2)42(57)36-22-30-24-45-43(48-39(30)53(36)32-5-3-4-6-32)46-37-11-7-29(23-44-37)28-15-17-50(18-16-28)25-27-13-19-51(20-14-27)33-8-9-34-31(21-33)26-52(41(34)56)35-10-12-38(54)47-40(35)55;3*1-3-2/h7-9,11,21-24,27-28,32,35H,3-6,10,12-20,25-26H2,1-2H3,(H,47,54,55)(H,44,45,46,48);3*3H2,1-2H3.

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

7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane has a molecular weight of 905.25 g/mol, XLogP of 9.49, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;propane is sourced from PubChem (CID 178005217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).