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

C46H54N10O3 — CID 170586738

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

7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 170586738) has the molecular formula C46H54N10O3 and a molecular weight of 795.01 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 170586738
• Molecular Formula: C46H54N10O3
• Molecular Weight: 795.01 g/mol
• Exact Mass: 794.44
• IUPAC Name: 7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(Cc5ccc(N6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)cc5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C46H54N10O3/c1-52(2)45(59)40-27-35-28-48-46(51-43(35)56(40)37-5-3-4-6-37)49-41-17-15-38(29-47-41)55-25-23-53(24-26-55)30-31-7-13-36(14-8-31)54-21-19-33(20-22-54)32-9-11-34(12-10-32)39-16-18-42(57)50-44(39)58/h7-15,17,27-29,33,37,39H,3-6,16,18-26,30H2,1-2H3,(H,50,57,58)(H,47,48,49,51)
• InChIKey: CCVLBIABDWVNAK-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 131.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	795.01
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'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-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 170586738) is 7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(Cc5ccc(N6CCC(c7ccc(C8CCC(=O)NC8=O)cc7)CC6)cc5)CC4)cn3)nc2n1C1CCCC1.

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

The InChIKey is CCVLBIABDWVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N10O3/c1-52(2)45(59)40-27-35-28-48-46(51-43(35)56(40)37-5-3-4-6-37)49-41-17-15-38(29-47-41)55-25-23-53(24-26-55)30-31-7-13-36(14-8-31)54-21-19-33(20-22-54)32-9-11-34(12-10-32)39-16-18-42(57)50-44(39)58/h7-15,17,27-29,33,37,39H,3-6,16,18-26,30H2,1-2H3,(H,50,57,58)(H,47,48,49,51).

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

7-cyclopentyl-2-[[5-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 795.01 g/mol, XLogP of 6.61, 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-[4-[[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]phenyl]methyl]piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 170586738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).