6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C49H54FN13O5 — CID 162725911

About 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725911) has the molecular formula C49H54FN13O5 and a molecular weight of 924.05 g/mol. Its IUPAC name is 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162725911
• Molecular Formula: C49H54FN13O5
• Molecular Weight: 924.05 g/mol
• Exact Mass: 923.44
• IUPAC Name: 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: COc1ccc(CC2(O)CCN(c3ccc(-c4nc(-c5cnn(C6CCC(N7CCN(c8cc(OC)c(NC9CCC(=O)NC9=O)cc8F)CC7)CC6)c5)cn5ncc(C#N)c45)cn3)CC2)nc1
• InChI: InChI=1S/C49H54FN13O5/c1-67-37-9-4-34(52-28-37)23-49(66)13-15-61(16-14-49)44-11-3-31(25-53-44)46-47-32(24-51)26-55-63(47)30-41(57-46)33-27-54-62(29-33)36-7-5-35(6-8-36)59-17-19-60(20-18-59)42-22-43(68-2)40(21-38(42)50)56-39-10-12-45(64)58-48(39)65/h3-4,9,11,21-22,25-30,35-36,39,56,66H,5-8,10,12-20,23H2,1-2H3,(H,58,64,65)
• InChIKey: HTAJDWSIBUMPLX-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 204.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.05
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725911) is 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is COc1ccc(CC2(O)CCN(c3ccc(-c4nc(-c5cnn(C6CCC(N7CCN(c8cc(OC)c(NC9CCC(=O)NC9=O)cc8F)CC7)CC6)c5)cn5ncc(C#N)c45)cn3)CC2)nc1.

What is the InChIKey of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is HTAJDWSIBUMPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54FN13O5/c1-67-37-9-4-34(52-28-37)23-49(66)13-15-61(16-14-49)44-11-3-31(25-53-44)46-47-32(24-51)26-55-63(47)30-41(57-46)33-27-54-62(29-33)36-7-5-35(6-8-36)59-17-19-60(20-18-59)42-22-43(68-2)40(21-38(42)50)56-39-10-12-45(64)58-48(39)65/h3-4,9,11,21-22,25-30,35-36,39,56,66H,5-8,10,12-20,23H2,1-2H3,(H,58,64,65).

What are the key properties of 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 924.05 g/mol, XLogP of 5.17, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]-4-[6-[4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).