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

C42H53N9O3 — CID 170586028

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

7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 170586028) has the molecular formula C42H53N9O3 and a molecular weight of 731.95 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 170586028
• Molecular Formula: C42H53N9O3
• Molecular Weight: 731.95 g/mol
• Exact Mass: 731.43
• IUPAC Name: 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(CCN4CCC(N5CCC(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C42H53N9O3/c1-48(2)41(54)36-25-32-27-44-42(47-39(32)51(36)34-5-3-4-6-34)45-37-13-7-28(26-43-37)15-20-49-21-18-33(19-22-49)50-23-16-30(17-24-50)29-8-10-31(11-9-29)35-12-14-38(52)46-40(35)53/h7-11,13,25-27,30,33-35H,3-6,12,14-24H2,1-2H3,(H,46,52,53)(H,43,44,45,47)
• InChIKey: BKOQMKHDWSCUAE-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 128.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.95
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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

The IUPAC name of 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 170586028) is 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(CCN4CCC(N5CCC(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1.

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

The InChIKey is BKOQMKHDWSCUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H53N9O3/c1-48(2)41(54)36-25-32-27-44-42(47-39(32)51(36)34-5-3-4-6-34)45-37-13-7-28(26-43-37)15-20-49-21-18-33(19-22-49)50-23-16-30(17-24-50)29-8-10-31(11-9-29)35-12-14-38(52)46-40(35)53/h7-11,13,25-27,30,33-35H,3-6,12,14-24H2,1-2H3,(H,46,52,53)(H,43,44,45,47).

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

7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 731.95 g/mol, XLogP of 5.79, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[2-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]piperidin-1-yl]ethyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 170586028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).