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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide

C55H59F2N11O6 — CID 170770934

IUPACN-[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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN4CCC(C(=O)N5CC(N6CCC(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8)CC6)C5)CC4)(NC(=O)c4cc(F)ccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C55H59F2N11O6/c1-2-74-42-25-43(50-39(26-58)28-60-68(50)32-42)37-5-9-48(59-27-37)65-21-15-55(16-22-65,62-51(70)45-24-40(56)6-7-46(45)57)33-63-17-11-35(12-18-63)53(72)66-30-41(31-66)64-19-13-34(14-20-64)36-3-4-38-29-67(54(73)44(38)23-36)47-8-10-49(69)61-52(47)71/h3-7,9,23-25,27-28,32,34-35,41,47H,2,8,10-22,29-31,33H2,1H3,(H,62,70)(H,61,69,71)
InChIKeyRZUZVFNLUZEABF-UHFFFAOYSA-N
MW1008.14 g/mol
LogP5.28
Rot. Bonds12

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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide

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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide (PubChem CID 170770934) has the molecular formula C55H59F2N11O6 and a molecular weight of 1008.14 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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide
PubChem CID170770934
Molecular FormulaC55H59F2N11O6
Molecular Weight1008.14 g/mol
Exact Mass1007.46
IUPAC NameN-[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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN4CCC(C(=O)N5CC(N6CCC(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8)CC6)C5)CC4)(NC(=O)c4cc(F)ccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C55H59F2N11O6/c1-2-74-42-25-43(50-39(26-58)28-60-68(50)32-42)37-5-9-48(59-27-37)65-21-15-55(16-22-65,62-51(70)45-24-40(56)6-7-46(45)57)33-63-17-11-35(12-18-63)53(72)66-30-41(31-66)64-19-13-34(14-20-64)36-3-4-38-29-67(54(73)44(38)23-36)47-8-10-49(69)61-52(47)71/h3-7,9,23-25,27-28,32,34-35,41,47H,2,8,10-22,29-31,33H2,1H3,(H,62,70)(H,61,69,71)
InChIKeyRZUZVFNLUZEABF-UHFFFAOYSA-N
XLogP5.28
TPSA188.82 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.14
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide with MolForge

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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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide?
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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide (CID 170770934) 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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide.
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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide?
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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide is CCOc1cc(-c2ccc(N3CCC(CN4CCC(C(=O)N5CC(N6CCC(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8)CC6)C5)CC4)(NC(=O)c4cc(F)ccc4F)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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide?
The InChIKey is RZUZVFNLUZEABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H59F2N11O6/c1-2-74-42-25-43(50-39(26-58)28-60-68(50)32-42)37-5-9-48(59-27-37)65-21-15-55(16-22-65,62-51(70)45-24-40(56)6-7-46(45)57)33-63-17-11-35(12-18-63)53(72)66-30-41(31-66)64-19-13-34(14-20-64)36-3-4-38-29-67(54(73)44(38)23-36)47-8-10-49(69)61-52(47)71/h3-7,9,23-25,27-28,32,34-35,41,47H,2,8,10-22,29-31,33H2,1H3,(H,62,70)(H,61,69,71).
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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide?
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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide has a molecular weight of 1008.14 g/mol, XLogP of 5.28, 12 rotatable bonds, 2 hydrogen bond donors, and 13 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]azetidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-4-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 170770934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).