N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid

C92H97N23O10 — CID 159621289

About N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid

N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 159621289) has the molecular formula C92H97N23O10 and a molecular weight of 1684.94 g/mol. Its IUPAC name is N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid
• PubChem CID: 159621289
• Molecular Formula: C92H97N23O10
• Molecular Weight: 1684.94 g/mol
• Exact Mass: 1683.78
• IUPAC Name: N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid
• SMILES: O=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NO.O=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NOC1CCCCO1.O=C(O)CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1
• InChI: InChI=1S/C34H38N8O4.C29H30N8O3.C29H29N7O3/c43-30(39-46-32-6-1-2-19-45-32)4-3-5-31(44)41-17-15-40(16-18-41)28-11-9-27(10-12-28)37-33-34-36-13-14-42(34)23-29(38-33)24-7-8-25-21-35-22-26(25)20-24;38-26(34-40)2-1-3-27(39)36-14-12-35(13-15-36)24-8-6-23(7-9-24)32-28-29-31-10-11-37(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20;37-26(2-1-3-27(38)39)35-14-12-34(13-15-35)24-8-6-23(7-9-24)32-28-29-31-10-11-36(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20/h7-14,20-21,23,32H,1-6,15-19,22H2,(H,37,38)(H,39,43);4-11,16-17,19,40H,1-3,12-15,18H2,(H,32,33)(H,34,38);4-11,16-17,19H,1-3,12-15,18H2,(H,32,33)(H,38,39)
• InChIKey: MNXNKMLRCLQFIJ-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 368.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.94
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid?

The IUPAC name of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid (CID 159621289) is N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid.

What is the SMILES notation for N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid?

The canonical SMILES for N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid is O=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NO.O=C(CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1)NOC1CCCCO1.O=C(O)CCCC(=O)N1CCN(c2ccc(Nc3nc(-c4ccc5c(c4)CN=C5)cn4ccnc34)cc2)CC1.

What is the InChIKey of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid?

The InChIKey is MNXNKMLRCLQFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O4.C29H30N8O3.C29H29N7O3/c43-30(39-46-32-6-1-2-19-45-32)4-3-5-31(44)41-17-15-40(16-18-41)28-11-9-27(10-12-28)37-33-34-36-13-14-42(34)23-29(38-33)24-7-8-25-21-35-22-26(25)20-24;38-26(34-40)2-1-3-27(39)36-14-12-35(13-15-36)24-8-6-23(7-9-24)32-28-29-31-10-11-37(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20;37-26(2-1-3-27(38)39)35-14-12-34(13-15-35)24-8-6-23(7-9-24)32-28-29-31-10-11-36(29)19-25(33-28)20-4-5-21-17-30-18-22(21)16-20/h7-14,20-21,23,32H,1-6,15-19,22H2,(H,37,38)(H,39,43);4-11,16-17,19,40H,1-3,12-15,18H2,(H,32,33)(H,34,38);4-11,16-17,19H,1-3,12-15,18H2,(H,32,33)(H,38,39).

What are the key properties of N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid?

N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 1684.94 g/mol, XLogP of 11.84, 26 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-N-(oxan-2-yloxy)-5-oxopentanamide;5-[4-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 159621289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).