cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate

C51H52FN13O6 — CID 169083403

About cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate

cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 169083403) has the molecular formula C51H52FN13O6 and a molecular weight of 962.06 g/mol. Its IUPAC name is cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate
• PubChem CID: 169083403
• Molecular Formula: C51H52FN13O6
• Molecular Weight: 962.06 g/mol
• Exact Mass: 961.41
• IUPAC Name: cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate
• SMILES: N#COC(=O)c1cc2c(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)cc(-c3cnn(C4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6)CC5)CC4)c3)cn2n1
• InChI: InChI=1S/C51H52FN13O6/c52-38-4-7-40(54-28-38)24-48(67)63-21-19-61(20-22-63)46-9-3-35(26-55-46)42-23-36(29-65-45(42)25-44(59-65)51(70)71-32-53)37-27-56-64(30-37)41-13-17-62(18-14-41)49(68)31-60-15-11-34(12-16-60)33-1-5-39(6-2-33)57-43-8-10-47(66)58-50(43)69/h1-7,9,23,25-30,34,41,43,57H,8,10-22,24,31H2,(H,58,66,69)
• InChIKey: SAIHSHDKBRSCIM-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 216.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.06
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate?

The IUPAC name of cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate (CID 169083403) is cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate.

What is the SMILES notation for cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate?

The canonical SMILES for cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate is N#COC(=O)c1cc2c(-c3ccc(N4CCN(C(=O)Cc5ccc(F)cn5)CC4)nc3)cc(-c3cnn(C4CCN(C(=O)CN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6)CC5)CC4)c3)cn2n1.

What is the InChIKey of cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate?

The InChIKey is SAIHSHDKBRSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52FN13O6/c52-38-4-7-40(54-28-38)24-48(67)63-21-19-61(20-22-63)46-9-3-35(26-55-46)42-23-36(29-65-45(42)25-44(59-65)51(70)71-32-53)37-27-56-64(30-37)41-13-17-62(18-14-41)49(68)31-60-15-11-34(12-16-60)33-1-5-39(6-2-33)57-43-8-10-47(66)58-50(43)69/h1-7,9,23,25-30,34,41,43,57H,8,10-22,24,31H2,(H,58,66,69).

What are the key properties of cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate?

cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 962.06 g/mol, XLogP of 4.58, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cyano 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-[2-(5-fluoro-2-pyridinyl)acetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 169083403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).