2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione

C47H55F3N8O6 — CID 155449255

About 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione (PubChem CID 155449255) has the molecular formula C47H55F3N8O6 and a molecular weight of 885.00 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
• PubChem CID: 155449255
• Molecular Formula: C47H55F3N8O6
• Molecular Weight: 885.00 g/mol
• Exact Mass: 884.42
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
• SMILES: CN(CC1CCC(c2cc3cc(C(C)(C)O)c(NC(O)c4cccc(C(F)(F)F)n4)cn3n2)CC1)C1CCC2(CC1)CC(Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C47H55F3N8O6/c1-45(2,64)32-20-30-21-35(55-57(30)25-36(32)53-41(60)34-8-5-9-38(52-34)47(48,49)50)27-12-10-26(11-13-27)24-56(3)29-16-18-46(19-17-29)22-28(23-46)51-33-7-4-6-31-40(33)44(63)58(43(31)62)37-14-15-39(59)54-42(37)61/h4-9,20-21,25-29,37,41,51,53,60,64H,10-19,22-24H2,1-3H3,(H,54,59,61)
• InChIKey: WINSIMSOCQCYCU-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 181.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	885.00
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione (CID 155449255) is 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione is CN(CC1CCC(c2cc3cc(C(C)(C)O)c(NC(O)c4cccc(C(F)(F)F)n4)cn3n2)CC1)C1CCC2(CC1)CC(Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?

The InChIKey is WINSIMSOCQCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55F3N8O6/c1-45(2,64)32-20-30-21-35(55-57(30)25-36(32)53-41(60)34-8-5-9-38(52-34)47(48,49)50)27-12-10-26(11-13-27)24-56(3)29-16-18-46(19-17-29)22-28(23-46)51-33-7-4-6-31-40(33)44(63)58(43(31)62)37-14-15-39(59)54-42(37)61/h4-9,20-21,25-29,37,41,51,53,60,64H,10-19,22-24H2,1-3H3,(H,54,59,61).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione has a molecular weight of 885.00 g/mol, XLogP of 6.89, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[5-(2-hydroxypropan-2-yl)-6-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]pyrazolo[1,5-a]pyridin-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 155449255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).