N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide

C55H58FN11O4 — CID 162725980

About N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide

N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide (PubChem CID 162725980) has the molecular formula C55H58FN11O4 and a molecular weight of 956.14 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide
• PubChem CID: 162725980
• Molecular Formula: C55H58FN11O4
• Molecular Weight: 956.14 g/mol
• Exact Mass: 955.47
• IUPAC Name: N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide
• SMILES: CC1(NC(=O)Cc2ccccc2)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C55H58FN11O4/c1-55(62-51(69)29-37-5-3-2-4-6-37)19-23-65(24-20-55)49-15-9-40(33-58-49)46-30-41(35-67-53(46)42(32-57)34-59-67)38-7-11-44(12-8-38)64-25-27-66(28-26-64)52(70)36-63-21-17-39(18-22-63)45-13-10-43(31-47(45)56)60-48-14-16-50(68)61-54(48)71/h2-13,15,30-31,33-35,39,48,60H,14,16-29,36H2,1H3,(H,62,69)(H,61,68,71)
• InChIKey: WKWHKKIHHNUTAL-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 171.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.14
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide?

The IUPAC name of N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide (CID 162725980) is N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide.

What is the SMILES notation for N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide?

The canonical SMILES for N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide is CC1(NC(=O)Cc2ccccc2)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7F)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide?

The InChIKey is WKWHKKIHHNUTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58FN11O4/c1-55(62-51(69)29-37-5-3-2-4-6-37)19-23-65(24-20-55)49-15-9-40(33-58-49)46-30-41(35-67-53(46)42(32-57)34-59-67)38-7-11-44(12-8-38)64-25-27-66(28-26-64)52(70)36-63-21-17-39(18-22-63)45-13-10-43(31-47(45)56)60-48-14-16-50(68)61-54(48)71/h2-13,15,30-31,33-35,39,48,60H,14,16-29,36H2,1H3,(H,62,69)(H,61,68,71).

What are the key properties of N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide?

N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide has a molecular weight of 956.14 g/mol, XLogP of 6.54, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 162725980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).