2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol

C26H26FN5O — CID 122650490

About 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol

2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol (PubChem CID 122650490) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol
• PubChem CID: 122650490
• Molecular Formula: C26H26FN5O
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.21
• IUPAC Name: 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol
• SMILES: OCCn1cc(-c2ccc(N3CCC([C@@H]4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1
• InChI: InChI=1S/C26H26FN5O/c27-23-3-1-2-22-24-15-28-17-32(24)26(25(22)23)19-8-10-30(11-9-19)21-6-4-18(5-7-21)20-14-29-31(16-20)12-13-33/h1-7,14-17,19,26,33H,8-13H2/t26-/m1/s1
• InChIKey: QJDCERFMSYFHLS-AREMUKBSSA-N
• XLogP: 4.36
• TPSA: 59.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol (CID 122650490) is 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccc(N3CCC([C@@H]4c5c(F)cccc5-c5cncn54)CC3)cc2)cn1.

What is the InChIKey of 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol?

The InChIKey is QJDCERFMSYFHLS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26FN5O/c27-23-3-1-2-22-24-15-28-17-32(24)26(25(22)23)19-8-10-30(11-9-19)21-6-4-18(5-7-21)20-14-29-31(16-20)12-13-33/h1-7,14-17,19,26,33H,8-13H2/t26-/m1/s1.

What are the key properties of 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol?

2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 443.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122650490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).