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

C42H54N10O3 — CID 170586309

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

7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 170586309) has the molecular formula C42H54N10O3 and a molecular weight of 746.96 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 170586309
• Molecular Formula: C42H54N10O3
• Molecular Weight: 746.96 g/mol
• Exact Mass: 746.44
• IUPAC Name: 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(CCCN4CCN(C5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C42H54N10O3/c1-48(2)41(55)36-26-31-28-44-42(47-39(31)52(36)34-7-3-4-8-34)45-37-15-9-29(27-43-37)6-5-19-49-22-24-51(25-23-49)33-17-20-50(21-18-33)32-12-10-30(11-13-32)35-14-16-38(53)46-40(35)54/h9-13,15,26-28,33-35H,3-8,14,16-25H2,1-2H3,(H,46,53,54)(H,43,44,45,47)
• InChIKey: LZLBROQZTRVWNP-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 131.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	746.96
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 170586309) is 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(CCCN4CCN(C5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1.

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

The InChIKey is LZLBROQZTRVWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N10O3/c1-48(2)41(55)36-26-31-28-44-42(47-39(31)52(36)34-7-3-4-8-34)45-37-15-9-29(27-43-37)6-5-19-49-22-24-51(25-23-49)33-17-20-50(21-18-33)32-12-10-30(11-13-32)35-14-16-38(53)46-40(35)54/h9-13,15,26-28,33-35H,3-8,14,16-25H2,1-2H3,(H,46,53,54)(H,43,44,45,47).

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

7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 746.96 g/mol, XLogP of 5.13, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[3-[4-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperazin-1-yl]propyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 170586309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).