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

C39H46FN9O3 — CID 170586449

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

7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 170586449) has the molecular formula C39H46FN9O3 and a molecular weight of 707.86 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 170586449
• Molecular Formula: C39H46FN9O3
• Molecular Weight: 707.86 g/mol
• Exact Mass: 707.37
• IUPAC Name: 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(N5CC(F)(Cc6cccc(C7CCC(=O)NC7=O)c6)C5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C39H46FN9O3/c1-46(2)37(52)32-19-27-21-42-38(45-35(27)49(32)29-8-3-4-9-29)43-33-12-10-30(22-41-33)47-16-14-28(15-17-47)48-23-39(40,24-48)20-25-6-5-7-26(18-25)31-11-13-34(50)44-36(31)51/h5-7,10,12,18-19,21-22,28-29,31H,3-4,8-9,11,13-17,20,23-24H2,1-2H3,(H,44,50,51)(H,41,42,43,45)
• InChIKey: RSJQYQAOVYOUFI-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 128.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.86
LogP ≤ 5	5.14
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-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 170586449) is 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-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-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(N5CC(F)(Cc6cccc(C7CCC(=O)NC7=O)c6)C5)CC4)cn3)nc2n1C1CCCC1.

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

The InChIKey is RSJQYQAOVYOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46FN9O3/c1-46(2)37(52)32-19-27-21-42-38(45-35(27)49(32)29-8-3-4-9-29)43-33-12-10-30(22-41-33)47-16-14-28(15-17-47)48-23-39(40,24-48)20-25-6-5-7-26(18-25)31-11-13-34(50)44-36(31)51/h5-7,10,12,18-19,21-22,28-29,31H,3-4,8-9,11,13-17,20,23-24H2,1-2H3,(H,44,50,51)(H,41,42,43,45).

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

7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 707.86 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[4-[3-[[3-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-fluoroazetidin-1-yl]piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 170586449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).