6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C49H54FN13O2 — CID 162725662

About 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162725662) has the molecular formula C49H54FN13O2 and a molecular weight of 876.06 g/mol. Its IUPAC name is 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162725662
• Molecular Formula: C49H54FN13O2
• Molecular Weight: 876.06 g/mol
• Exact Mass: 875.45
• IUPAC Name: 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3cnn(C4CCN(CCN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12
• InChI: InChI=1S/C49H54FN13O2/c50-44-26-39(56-45-7-9-47(64)57-49(45)65)5-6-42(44)34-10-15-58(16-11-34)19-20-59-17-12-41(13-18-59)62-32-38(30-54-62)36-25-43(48-37(27-51)29-55-63(48)31-36)35-4-8-46(53-28-35)61-23-21-60(22-24-61)33-40-3-1-2-14-52-40/h1-6,8,14,25-26,28-32,34,41,45,56H,7,9-13,15-24,33H2,(H,57,64,65)
• InChIKey: KSHZCNBYBUVEOS-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 155.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	876.06
LogP ≤ 5	5.72
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 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162725662) is 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCN(CCN5CCC(c6ccc(NC7CCC(=O)NC7=O)cc6F)CC5)CC4)c3)cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)nc3)c12.

What is the InChIKey of 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KSHZCNBYBUVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54FN13O2/c50-44-26-39(56-45-7-9-47(64)57-49(45)65)5-6-42(44)34-10-15-58(16-11-34)19-20-59-17-12-41(13-18-59)62-32-38(30-54-62)36-25-43(48-37(27-51)29-55-63(48)31-36)35-4-8-46(53-28-35)61-23-21-60(22-24-61)33-40-3-1-2-14-52-40/h1-6,8,14,25-26,28-32,34,41,45,56H,7,9-13,15-24,33H2,(H,57,64,65).

What are the key properties of 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 876.06 g/mol, XLogP of 5.72, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162725662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).