2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione

C44H54FN9O7S — CID 169257549

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione (PubChem CID 169257549) has the molecular formula C44H54FN9O7S and a molecular weight of 872.04 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione
• PubChem CID: 169257549
• Molecular Formula: C44H54FN9O7S
• Molecular Weight: 872.04 g/mol
• Exact Mass: 871.39
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione
• SMILES: CC1CCCC1n1c(=O)ccc2cnc(NC3CCN(S(=O)(=O)C4CCN(C5CC6(CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)CC3)nc21
• InChI: InChI=1S/C44H54FN9O7S/c1-26-3-2-4-34(26)53-38(56)8-5-27-25-46-43(49-39(27)53)47-28-9-17-52(18-10-28)62(60,61)30-11-15-50(16-12-30)29-23-44(24-29)13-19-51(20-14-44)36-22-32-31(21-33(36)45)41(58)54(42(32)59)35-6-7-37(55)48-40(35)57/h5,8,21-22,25-26,28-30,34-35H,2-4,6-7,9-20,23-24H2,1H3,(H,46,47,49)(H,48,55,57)
• InChIKey: CTXNAQLUARDJES-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 187.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.04
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione (CID 169257549) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione is CC1CCCC1n1c(=O)ccc2cnc(NC3CCN(S(=O)(=O)C4CCN(C5CC6(CCN(c7cc8c(cc7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)CC3)nc21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione?

The InChIKey is CTXNAQLUARDJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54FN9O7S/c1-26-3-2-4-34(26)53-38(56)8-5-27-25-46-43(49-39(27)53)47-28-9-17-52(18-10-28)62(60,61)30-11-15-50(16-12-30)29-23-44(24-29)13-19-51(20-14-44)36-22-32-31(21-33(36)45)41(58)54(42(32)59)35-6-7-37(55)48-40(35)57/h5,8,21-22,25-26,28-30,34-35H,2-4,6-7,9-20,23-24H2,1H3,(H,46,47,49)(H,48,55,57).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione has a molecular weight of 872.04 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[2-[4-[4-[[8-(2-methylcyclopentyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]isoindole-1,3-dione is sourced from PubChem (CID 169257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).