N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide

C52H57FN12O6 — CID 170771050

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 170771050) has the molecular formula C52H57FN12O6 and a molecular weight of 965.10 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide
• PubChem CID: 170771050
• Molecular Formula: C52H57FN12O6
• Molecular Weight: 965.10 g/mol
• Exact Mass: 964.45
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(C(=O)CCN5CCC(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)CC4)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C52H57FN12O6/c1-2-71-39-27-40(48-38(28-54)30-57-65(48)32-39)36-7-9-44(56-29-36)62-20-14-52(15-21-62,59-50(69)47-42(53)4-3-16-55-47)33-61-22-24-63(25-23-61)46(67)13-19-60-17-11-34(12-18-60)35-5-6-37-31-64(51(70)41(37)26-35)43-8-10-45(66)58-49(43)68/h3-7,9,16,26-27,29-30,32,34,43H,2,8,10-15,17-25,31,33H2,1H3,(H,59,69)(H,58,66,68)
• InChIKey: GXBOVOREBATSLD-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 201.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.10
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide (CID 170771050) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(C(=O)CCN5CCC(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7)CC5)CC4)(NC(=O)c4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide?

The InChIKey is GXBOVOREBATSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57FN12O6/c1-2-71-39-27-40(48-38(28-54)30-57-65(48)32-39)36-7-9-44(56-29-36)62-20-14-52(15-21-62,59-50(69)47-42(53)4-3-16-55-47)33-61-22-24-63(25-23-61)46(67)13-19-60-17-11-34(12-18-60)35-5-6-37-31-64(51(70)41(37)26-35)43-8-10-45(66)58-49(43)68/h3-7,9,16,26-27,29-30,32,34,43H,2,8,10-15,17-25,31,33H2,1H3,(H,59,69)(H,58,66,68).

What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 965.10 g/mol, XLogP of 4.14, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]piperazin-1-yl]methyl]piperidin-4-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 170771050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).