4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C50H53FN12O5 — CID 162726443

About 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162726443) has the molecular formula C50H53FN12O5 and a molecular weight of 921.05 g/mol. Its IUPAC name is 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162726443
• Molecular Formula: C50H53FN12O5
• Molecular Weight: 921.05 g/mol
• Exact Mass: 920.42
• IUPAC Name: 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC(O)(Cc5ccccc5)CC4)nc3)c12
• InChI: InChI=1S/C50H53FN12O5/c51-39-24-37(56-40-8-11-44(64)58-48(40)66)7-9-42(39)59-20-14-50(68,15-21-59)26-45(65)61-18-12-38(13-19-61)62-31-36(30-54-62)41-32-63-47(35(27-52)29-55-63)46(57-41)34-6-10-43(53-28-34)60-22-16-49(67,17-23-60)25-33-4-2-1-3-5-33/h1-7,9-10,24,28-32,38,40,56,67-68H,8,11-23,25-26H2,(H,58,64,66)
• InChIKey: QKPLSKLUBBVJFW-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 210.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.05
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162726443) is 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)nc(-c3ccc(N4CCC(O)(Cc5ccccc5)CC4)nc3)c12.

What is the InChIKey of 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is QKPLSKLUBBVJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53FN12O5/c51-39-24-37(56-40-8-11-44(64)58-48(40)66)7-9-42(39)59-20-14-50(68,15-21-59)26-45(65)61-18-12-38(13-19-61)62-31-36(30-54-62)41-32-63-47(35(27-52)29-55-63)46(57-41)34-6-10-43(53-28-34)60-22-16-49(67,17-23-60)25-33-4-2-1-3-5-33/h1-7,9-10,24,28-32,38,40,56,67-68H,8,11-23,25-26H2,(H,58,64,66).

What are the key properties of 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 921.05 g/mol, XLogP of 5.04, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-6-[1-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162726443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).