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

C49H49FN12O6 — CID 162726183

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

6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162726183) has the molecular formula C49H49FN12O6 and a molecular weight of 921.01 g/mol. Its IUPAC name is 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162726183
• Molecular Formula: C49H49FN12O6
• Molecular Weight: 921.01 g/mol
• Exact Mass: 920.39
• IUPAC Name: 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3ccc(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc(-c3ccc(N4CCN(C(=O)c5ccon5)CC4)nc3)c12
• InChI: InChI=1S/C49H49FN12O6/c50-37-25-36(54-38-7-10-43(63)56-47(38)65)6-8-41(37)58-18-14-49(67,15-19-58)26-44(64)60-16-11-32(12-17-60)31-1-3-33(4-2-31)40-30-62-46(35(27-51)29-53-62)45(55-40)34-5-9-42(52-28-34)59-20-22-61(23-21-59)48(66)39-13-24-68-57-39/h1-6,8-9,13,24-25,28-30,32,38,54,67H,7,10-12,14-23,26H2,(H,56,63,65)
• InChIKey: XBESRYKEOXNKPL-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 218.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.01
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
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 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162726183) is 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

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

The canonical SMILES for 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(-c3ccc(C4CCN(C(=O)CC5(O)CCN(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)cc3)nc(-c3ccc(N4CCN(C(=O)c5ccon5)CC4)nc3)c12.

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

The InChIKey is XBESRYKEOXNKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49FN12O6/c50-37-25-36(54-38-7-10-43(63)56-47(38)65)6-8-41(37)58-18-14-49(67,15-19-58)26-44(64)60-16-11-32(12-17-60)31-1-3-33(4-2-31)40-30-62-46(35(27-51)29-53-62)45(55-40)34-5-9-42(52-28-34)59-20-22-61(23-21-59)48(66)39-13-24-68-57-39/h1-6,8-9,13,24-25,28-30,32,38,54,67H,7,10-12,14-23,26H2,(H,56,63,65).

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

6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 921.01 g/mol, XLogP of 4.76, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[1-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperidin-4-yl]phenyl]-4-[6-[4-(1,2-oxazole-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162726183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).