6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C55H58N12O5 — CID 162726425

About 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162726425) has the molecular formula C55H58N12O5 and a molecular weight of 967.15 g/mol. Its IUPAC name is 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162726425
• Molecular Formula: C55H58N12O5
• Molecular Weight: 967.15 g/mol
• Exact Mass: 966.47
• IUPAC Name: 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=C(C)c1ccc(CC(=O)N2CCN(c3ccc(-c4cc(-c5ccc(N6CCN(C(=O)CC7(O)CCN(c8ccc(NC9CCC(=O)NC9=O)cc8)CC7)CC6)cc5)cn5ncc(C#N)c45)cn3)CC2)nc1
• InChI: InChI=1S/C55H58N12O5/c1-37(2)39-3-7-44(57-33-39)30-51(69)65-27-23-64(24-28-65)49-15-6-40(34-58-49)47-29-41(36-67-53(47)42(32-56)35-59-67)38-4-10-45(11-5-38)63-21-25-66(26-22-63)52(70)31-55(72)17-19-62(20-18-55)46-12-8-43(9-13-46)60-48-14-16-50(68)61-54(48)71/h3-13,15,29,33-36,48,60,72H,1,14,16-28,30-31H2,2H3,(H,61,68,71)
• InChIKey: XXNUUIPTMUBROK-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 195.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.15
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162726425) is 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=C(C)c1ccc(CC(=O)N2CCN(c3ccc(-c4cc(-c5ccc(N6CCN(C(=O)CC7(O)CCN(c8ccc(NC9CCC(=O)NC9=O)cc8)CC7)CC6)cc5)cn5ncc(C#N)c45)cn3)CC2)nc1.

What is the InChIKey of 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is XXNUUIPTMUBROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58N12O5/c1-37(2)39-3-7-44(57-33-39)30-51(69)65-27-23-64(24-28-65)49-15-6-40(34-58-49)47-29-41(36-67-53(47)42(32-56)35-59-67)38-4-10-45(11-5-38)63-21-25-66(26-22-63)52(70)31-55(72)17-19-62(20-18-55)46-12-8-43(9-13-46)60-48-14-16-50(68)61-54(48)71/h3-13,15,29,33-36,48,60,72H,1,14,16-28,30-31H2,2H3,(H,61,68,71).

What are the key properties of 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 967.15 g/mol, XLogP of 5.54, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-4-[6-[4-[2-(5-prop-1-en-2-yl-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162726425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).