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

C41H51N9O4 — CID 170586331

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

7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 170586331) has the molecular formula C41H51N9O4 and a molecular weight of 733.92 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 170586331
• Molecular Formula: C41H51N9O4
• Molecular Weight: 733.92 g/mol
• Exact Mass: 733.41
• IUPAC Name: 7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(OCC4CCN(C5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C41H51N9O4/c1-47(2)40(53)35-23-29-24-43-41(46-38(29)50(35)32-5-3-4-6-32)44-36-13-11-33(25-42-36)54-26-27-15-19-48(20-16-27)31-17-21-49(22-18-31)30-9-7-28(8-10-30)34-12-14-37(51)45-39(34)52/h7-11,13,23-25,27,31-32,34H,3-6,12,14-22,26H2,1-2H3,(H,45,51,52)(H,42,43,44,46)
• InChIKey: FSSKLZVJSOQFLY-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 137.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	733.92
LogP ≤ 5	5.67
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-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 170586331) is 7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(OCC4CCN(C5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)cn3)nc2n1C1CCCC1.

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

The InChIKey is FSSKLZVJSOQFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N9O4/c1-47(2)40(53)35-23-29-24-43-41(46-38(29)50(35)32-5-3-4-6-32)44-36-13-11-33(25-42-36)54-26-27-15-19-48(20-16-27)31-17-21-49(22-18-31)30-9-7-28(8-10-30)34-12-14-37(51)45-39(34)52/h7-11,13,23-25,27,31-32,34H,3-6,12,14-22,26H2,1-2H3,(H,45,51,52)(H,42,43,44,46).

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

7-cyclopentyl-2-[[5-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 733.92 g/mol, XLogP of 5.67, 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-[[1-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]piperidin-4-yl]methoxy]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 170586331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).