4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine

C23H21ClN4O — CID 121309637

IUPAC4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3cnc(-c4ccccc4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C23H21ClN4O/c24-19-8-6-18(7-9-19)23-21(16-27-10-12-29-13-11-27)28-15-20(25-14-22(28)26-23)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
InChIKeyABFRLRSYDPITSQ-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.55
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine

4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine (PubChem CID 121309637) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
PubChem CID121309637
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3cnc(-c4ccccc4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C23H21ClN4O/c24-19-8-6-18(7-9-19)23-21(16-27-10-12-29-13-11-27)28-15-20(25-14-22(28)26-23)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2
InChIKeyABFRLRSYDPITSQ-UHFFFAOYSA-N
XLogP4.55
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine (CID 121309637) is 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine is Clc1ccc(-c2nc3cnc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
The InChIKey is ABFRLRSYDPITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c24-19-8-6-18(7-9-19)23-21(16-27-10-12-29-13-11-27)28-15-20(25-14-22(28)26-23)17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine has a molecular weight of 404.90 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).