4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C₅₂H₅₃FN₁₄O₅ — CID 171617917

About 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171617917) has the molecular formula C₅₂H₅₃FN₁₄O₅ and a molecular weight of 973.09 g/mol. Its IUPAC name is 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 171617917
• Molecular Formula: C₅₂H₅₃FN₁₄O₅
• Molecular Weight: 973.09 g/mol
• Exact Mass: 972.43
• IUPAC Name: 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C[C@](C)(N)[C@H]3[C@@H]2CN3c2ccc(-c3cc(-c4cnn(C5CCC(N6CCN(c7cc8c(cc7F)C(=O)N([C@H]7CCC(=O)NC7=O)C8=O)CC6)CC5)c4)cn4ncc(C#N)c34)cn2)cn1
• InChI: InChI=1S/C52H53FN14O5/c1-52(55)29-63(25-30-3-12-46(72-2)57-21-30)43-28-64(48(43)52)44-10-4-31(22-56-44)37-17-32(26-66-47(37)33(20-54)23-59-66)34-24-58-65(27-34)36-7-5-35(6-8-36)61-13-15-62(16-14-61)42-19-39-38(18-40(42)53)50(70)67(51(39)71)41-9-11-45(68)60-49(41)69/h3-4,10,12,17-19,21-24,26-27,35-36,41,43,48H,5-9,11,13-16,25,28-29,55H2,1-2H3,(H,60,68,69)/t35?,36?,41-,43-,48+,52-/m0/s1
• InChIKey: DYMKYOVAZFJCGO-ONYXLGDESA-N
• XLogP: 4.17
• TPSA: 216.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.09
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
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 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171617917) is 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C[C@](C)(N)[C@H]3[C@@H]2CN3c2ccc(-c3cc(-c4cnn(C5CCC(N6CCN(c7cc8c(cc7F)C(=O)N([C@H]7CCC(=O)NC7=O)C8=O)CC6)CC5)c4)cn4ncc(C#N)c34)cn2)cn1.

What is the InChIKey of 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is DYMKYOVAZFJCGO-ONYXLGDESA-N. The full InChI is InChI=1S/C52H53FN14O5/c1-52(55)29-63(25-30-3-12-46(72-2)57-21-30)43-28-64(48(43)52)44-10-4-31(22-56-44)37-17-32(26-66-47(37)33(20-54)23-59-66)34-24-58-65(27-34)36-7-5-35(6-8-36)61-13-15-62(16-14-61)42-19-39-38(18-40(42)53)50(70)67(51(39)71)41-9-11-45(68)60-49(41)69/h3-4,10,12,17-19,21-24,26-27,35-36,41,43,48H,5-9,11,13-16,25,28-29,55H2,1-2H3,(H,60,68,69)/t35?,36?,41-,43-,48+,52-/m0/s1.

What are the key properties of 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 973.09 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1S,4S,5R)-4-amino-2-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-2,6-diazabicyclo[3.2.0]heptan-6-yl]-3-pyridinyl]-6-[1-[4-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171617917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171617917 — identifiers, structure, computed properties (public domain)

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