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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C49H51FN12O5 — CID 162725423

About 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725423) has the molecular formula C49H51FN12O5 and a molecular weight of 907.02 g/mol. Its IUPAC name is 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162725423
• Molecular Formula: C49H51FN12O5
• Molecular Weight: 907.02 g/mol
• Exact Mass: 906.41
• IUPAC Name: 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]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(c5ccc(O)cc5)CC4)nc3)c12
• InChI: InChI=1S/C49H51FN12O5/c50-39-23-36(55-40-7-10-44(64)57-48(40)66)4-8-42(39)58-21-15-49(67,16-22-58)24-45(65)60-19-13-37(14-20-60)61-29-35(28-53-61)41-30-62-47(34(25-51)27-54-62)46(56-41)33-3-9-43(52-26-33)59-17-11-32(12-18-59)31-1-5-38(63)6-2-31/h1-6,8-9,23,26-30,32,37,40,55,63,67H,7,10-22,24H2,(H,57,64,66)
• InChIKey: UOMDZQICJMBWGJ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 210.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	907.02
LogP ≤ 5	5.56
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 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725423) is 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]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(c5ccc(O)cc5)CC4)nc3)c12.

What is the InChIKey of 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is UOMDZQICJMBWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H51FN12O5/c50-39-23-36(55-40-7-10-44(64)57-48(40)66)4-8-42(39)58-21-15-49(67,16-22-58)24-45(65)60-19-13-37(14-20-60)61-29-35(28-53-61)41-30-62-47(34(25-51)27-54-62)46(56-41)33-3-9-43(52-26-33)59-17-11-32(12-18-59)31-1-5-38(63)6-2-31/h1-6,8-9,23,26-30,32,37,40,55,63,67H,7,10-22,24H2,(H,57,64,66).

What are the key properties of 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 907.02 g/mol, XLogP of 5.56, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-4-[6-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).