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

C39H53N11O3 — CID 166112909

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

7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen (PubChem CID 166112909) has the molecular formula C39H53N11O3 and a molecular weight of 723.93 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen
• PubChem CID: 166112909
• Molecular Formula: C39H53N11O3
• Molecular Weight: 723.93 g/mol
• Exact Mass: 723.43
• IUPAC Name: 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CC5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)cn3)nc2n1C1CCCC1.[H][H].[H][H]
• InChI: InChI=1S/C39H49N11O3.2H2/c1-46(2)38(53)32-21-28-23-42-39(45-36(28)50(32)29-5-3-4-6-29)43-33-10-8-30(24-40-33)48-19-17-47(18-20-48)25-26-13-15-49(16-14-26)34-11-7-27(22-41-34)31-9-12-35(51)44-37(31)52;;/h7-8,10-11,21-24,26,29,31H,3-6,9,12-20,25H2,1-2H3,(H,44,51,52)(H,40,42,43,45);2*1H
• InChIKey: ZCEGXWUPLCWYCI-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 144.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.93
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen (CID 166112909) is 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen.

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

The canonical SMILES for 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CC5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)cn3)nc2n1C1CCCC1.[H][H].[H][H].

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

The InChIKey is ZCEGXWUPLCWYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49N11O3.2H2/c1-46(2)38(53)32-21-28-23-42-39(45-36(28)50(32)29-5-3-4-6-29)43-33-10-8-30(24-40-33)48-19-17-47(18-20-48)25-26-13-15-49(16-14-26)34-11-7-27(22-41-34)31-9-12-35(51)44-37(31)52;;/h7-8,10-11,21-24,26,29,31H,3-6,9,12-20,25H2,1-2H3,(H,44,51,52)(H,40,42,43,45);2*1H.

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

7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen has a molecular weight of 723.93 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 166112909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).