5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C44H50N10O6 — CID 175421924

About 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175421924) has the molecular formula C44H50N10O6 and a molecular weight of 814.95 g/mol. Its IUPAC name is 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 175421924
• Molecular Formula: C44H50N10O6
• Molecular Weight: 814.95 g/mol
• Exact Mass: 814.39
• IUPAC Name: 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(CN4CCC(N[C@H]5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C44H50N10O6/c1-25-34-22-46-44(50-39(34)53(30-7-3-4-8-30)43(60)38(25)26(2)55)48-36-13-9-27(21-45-36)23-51-18-15-28(16-19-51)47-29-6-5-17-52(24-29)31-10-11-32-33(20-31)42(59)54(41(32)58)35-12-14-37(56)49-40(35)57/h9-11,13,20-22,28-30,35,47H,3-8,12,14-19,23-24H2,1-2H3,(H,49,56,57)(H,45,46,48,50)/t29-,35?/m0/s1
• InChIKey: KWZCSIMARGHLPJ-SZVSUXHCSA-N
• XLogP: 4.18
• TPSA: 191.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.95
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175421924) is 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(=O)c1c(C)c2cnc(Nc3ccc(CN4CCC(N[C@H]5CCCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is KWZCSIMARGHLPJ-SZVSUXHCSA-N. The full InChI is InChI=1S/C44H50N10O6/c1-25-34-22-46-44(50-39(34)53(30-7-3-4-8-30)43(60)38(25)26(2)55)48-36-13-9-27(21-45-36)23-51-18-15-28(16-19-51)47-29-6-5-17-52(24-29)31-10-11-32-33(20-31)42(59)54(41(32)58)35-12-14-37(56)49-40(35)57/h9-11,13,20-22,28-30,35,47H,3-8,12,14-19,23-24H2,1-2H3,(H,49,56,57)(H,45,46,48,50)/t29-,35?/m0/s1.

What are the key properties of 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 814.95 g/mol, XLogP of 4.18, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S)-3-[[1-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperidin-4-yl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175421924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).