3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione

C38H41F3N10O2 — CID 171821051

About 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione

3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione (PubChem CID 171821051) has the molecular formula C38H41F3N10O2 and a molecular weight of 726.81 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione
• PubChem CID: 171821051
• Molecular Formula: C38H41F3N10O2
• Molecular Weight: 726.81 g/mol
• Exact Mass: 726.34
• IUPAC Name: 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione
• SMILES: Cc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)c(F)c6)CC5)CC4)c3)c3nccn23)c(F)cc1F
• InChI: InChI=1S/C38H41F3N10O2/c1-24-18-30(33(41)20-31(24)39)34-22-43-36(37-42-8-11-50(34)37)45-25-21-44-51(23-25)26-6-9-47(10-7-26)12-13-48-14-16-49(17-15-48)27-2-3-28(32(40)19-27)29-4-5-35(52)46-38(29)53/h2-3,8,11,18-23,26,29H,4-7,9-10,12-17H2,1H3,(H,43,45)(H,46,52,53)
• InChIKey: AFFKFTCUQPDYDA-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 115.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	726.81
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione (CID 171821051) is 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione is Cc1cc(-c2cnc(Nc3cnn(C4CCN(CCN5CCN(c6ccc(C7CCC(=O)NC7=O)c(F)c6)CC5)CC4)c3)c3nccn23)c(F)cc1F.

What is the InChIKey of 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione?

The InChIKey is AFFKFTCUQPDYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F3N10O2/c1-24-18-30(33(41)20-31(24)39)34-22-43-36(37-42-8-11-50(34)37)45-25-21-44-51(23-25)26-6-9-47(10-7-26)12-13-48-14-16-49(17-15-48)27-2-3-28(32(40)19-27)29-4-5-35(52)46-38(29)53/h2-3,8,11,18-23,26,29H,4-7,9-10,12-17H2,1H3,(H,43,45)(H,46,52,53).

What are the key properties of 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione?

3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione has a molecular weight of 726.81 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[2-[4-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]-2-fluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 171821051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).