N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide

C104H109ClF2N12O9 — CID 162220722

IUPACN-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide
SMILESCC(=O)NCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1Cl.CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C36H39FN4O3.C34H35ClN4O3.C34H35FN4O3/c1-26(42)38-20-12-4-2-3-5-13-21-44-34-19-18-28(22-30(34)37)24-32-36(43)41-25-33(29-16-10-7-11-17-29)39-31(35(41)40-32)23-27-14-8-6-9-15-27;2*1-24(40)36-18-10-2-3-11-19-42-32-17-16-26(20-28(32)35)22-30-34(41)39-23-31(27-14-8-5-9-15-27)37-29(33(39)38-30)21-25-12-6-4-7-13-25/h6-11,14-19,22,25,43H,2-5,12-13,20-21,23-24H2,1H3,(H,38,42);2*4-9,12-17,20,23,41H,2-3,10-11,18-19,21-22H2,1H3,(H,36,40)
InChIKeyAKINLARLLZMXGH-UHFFFAOYSA-N
MW1744.54 g/mol
LogP20.79
Rot. Bonds41

About N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide

N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide (PubChem CID 162220722) has the molecular formula C104H109ClF2N12O9 and a molecular weight of 1744.54 g/mol. Its IUPAC name is N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide
PubChem CID162220722
Molecular FormulaC104H109ClF2N12O9
Molecular Weight1744.54 g/mol
Exact Mass1742.81
IUPAC NameN-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide
SMILESCC(=O)NCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1Cl.CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C36H39FN4O3.C34H35ClN4O3.C34H35FN4O3/c1-26(42)38-20-12-4-2-3-5-13-21-44-34-19-18-28(22-30(34)37)24-32-36(43)41-25-33(29-16-10-7-11-17-29)39-31(35(41)40-32)23-27-14-8-6-9-15-27;2*1-24(40)36-18-10-2-3-11-19-42-32-17-16-26(20-28(32)35)22-30-34(41)39-23-31(27-14-8-5-9-15-27)37-29(33(39)38-30)21-25-12-6-4-7-13-25/h6-11,14-19,22,25,43H,2-5,12-13,20-21,23-24H2,1H3,(H,38,42);2*4-9,12-17,20,23,41H,2-3,10-11,18-19,21-22H2,1H3,(H,36,40)
InChIKeyAKINLARLLZMXGH-UHFFFAOYSA-N
XLogP20.79
TPSA266.25 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.54
LogP ≤ 520.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide?
The IUPAC name of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide (CID 162220722) is N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide.
What is the SMILES notation for N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide?
The canonical SMILES for N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide is CC(=O)NCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1Cl.CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.
What is the InChIKey of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide?
The InChIKey is AKINLARLLZMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN4O3.C34H35ClN4O3.C34H35FN4O3/c1-26(42)38-20-12-4-2-3-5-13-21-44-34-19-18-28(22-30(34)37)24-32-36(43)41-25-33(29-16-10-7-11-17-29)39-31(35(41)40-32)23-27-14-8-6-9-15-27;2*1-24(40)36-18-10-2-3-11-19-42-32-17-16-26(20-28(32)35)22-30-34(41)39-23-31(27-14-8-5-9-15-27)37-29(33(39)38-30)21-25-12-6-4-7-13-25/h6-11,14-19,22,25,43H,2-5,12-13,20-21,23-24H2,1H3,(H,38,42);2*4-9,12-17,20,23,41H,2-3,10-11,18-19,21-22H2,1H3,(H,36,40).
What are the key properties of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide?
N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide has a molecular weight of 1744.54 g/mol, XLogP of 20.79, 41 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-chlorophenoxy]hexyl]acetamide;N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide;N-[8-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]octyl]acetamide is sourced from PubChem (CID 162220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).