1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide

C51H59N11O4 — CID 162726111

About 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 162726111) has the molecular formula C51H59N11O4 and a molecular weight of 890.11 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
• PubChem CID: 162726111
• Molecular Formula: C51H59N11O4
• Molecular Weight: 890.11 g/mol
• Exact Mass: 889.48
• IUPAC Name: 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C51H59N11O4/c1-34(2)55-50(66)51(3)18-22-60(23-19-51)45-14-8-38(30-53-45)43-28-39(32-62-48(43)40(29-52)31-54-62)36-6-11-42(12-7-36)59-24-26-61(27-25-59)47(64)33-58-20-16-37(17-21-58)35-4-9-41(10-5-35)56-44-13-15-46(63)57-49(44)65/h4-12,14,28,30-32,34,37,44,56H,13,15-27,33H2,1-3H3,(H,55,66)(H,57,63,65)
• InChIKey: KDCGSSNFGYMLBE-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 171.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	890.11
LogP ≤ 5	5.81
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 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 162726111) is 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide.

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

The canonical SMILES for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(NC8CCC(=O)NC8=O)cc7)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is KDCGSSNFGYMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H59N11O4/c1-34(2)55-50(66)51(3)18-22-60(23-19-51)45-14-8-38(30-53-45)43-28-39(32-62-48(43)40(29-52)31-54-62)36-6-11-42(12-7-36)59-24-26-61(27-25-59)47(64)33-58-20-16-37(17-21-58)35-4-9-41(10-5-35)56-44-13-15-46(63)57-49(44)65/h4-12,14,28,30-32,34,37,44,56H,13,15-27,33H2,1-3H3,(H,55,66)(H,57,63,65).

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

1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 890.11 g/mol, XLogP of 5.81, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 162726111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).