7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C41H52N10O3 — CID 170378193

About 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 170378193) has the molecular formula C41H52N10O3 and a molecular weight of 732.93 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 170378193
• Molecular Formula: C41H52N10O3
• Molecular Weight: 732.93 g/mol
• Exact Mass: 732.42
• IUPAC Name: 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCN(CCN5CCN(c6cccc(C7CCC(=O)NC7=O)c6)CC5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C41H52N10O3/c1-47(2)40(54)35-25-31-27-43-41(46-38(31)51(35)32-7-3-4-8-32)44-36-12-10-30(26-42-36)28-14-16-48(17-15-28)18-19-49-20-22-50(23-21-49)33-9-5-6-29(24-33)34-11-13-37(52)45-39(34)53/h5-6,9-10,12,24-28,32,34H,3-4,7-8,11,13-23H2,1-2H3,(H,45,52,53)(H,42,43,44,46)
• InChIKey: QFGUEZVEAUUBRV-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 131.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.93
LogP ≤ 5	4.91
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-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 170378193) is 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(C4CCN(CCN5CCN(c6cccc(C7CCC(=O)NC7=O)c6)CC5)CC4)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is QFGUEZVEAUUBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52N10O3/c1-47(2)40(54)35-25-31-27-43-41(46-38(31)51(35)32-7-3-4-8-32)44-36-12-10-30(26-42-36)28-14-16-48(17-15-28)18-19-49-20-22-50(23-21-49)33-9-5-6-29(24-33)34-11-13-37(52)45-39(34)53/h5-6,9-10,12,24-28,32,34H,3-4,7-8,11,13-23H2,1-2H3,(H,45,52,53)(H,42,43,44,46).

What are the key properties of 7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-2-[[5-[1-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 732.93 g/mol, XLogP of 4.91, 10 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-[2-[4-[3-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 170378193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).