2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one

C24H22Cl2N4O2 — CID 56952948

IUPAC2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3)nn2cc(-c2ccc(Cl)cc2)n1CCN1CCOCC1
InChIInChI=1S/C24H22Cl2N4O2/c25-19-5-1-17(2-6-19)21-15-22-24(31)29(10-9-28-11-13-32-14-12-28)23(16-30(22)27-21)18-3-7-20(26)8-4-18/h1-8,15-16H,9-14H2
InChIKeyAEHVYKAPRRHBPW-UHFFFAOYSA-N
MW469.37 g/mol
LogP4.47
Rot. Bonds5

About 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one

2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 56952948) has the molecular formula C24H22Cl2N4O2 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID56952948
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC Name2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cc3)nn2cc(-c2ccc(Cl)cc2)n1CCN1CCOCC1
InChIInChI=1S/C24H22Cl2N4O2/c25-19-5-1-17(2-6-19)21-15-22-24(31)29(10-9-28-11-13-32-14-12-28)23(16-30(22)27-21)18-3-7-20(26)8-4-18/h1-8,15-16H,9-14H2
InChIKeyAEHVYKAPRRHBPW-UHFFFAOYSA-N
XLogP4.47
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide
CID 8903865
6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one
CID 3038268
3-(4-chlorophenyl)-4-(2-morpholin-4-ylethyl)-1H-1,2,4-triazole-5-thione
CID 56696930
4-[2-[2-(4-chlorophenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine;dihydrobromide
CID 44888843
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 3047072
4-[2-[2-(4-chlorophenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine;hydrate;dihydrochloride
CID 21155045
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877602
4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
CID 66764740

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 56952948) is 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3ccc(Cl)cc3)nn2cc(-c2ccc(Cl)cc2)n1CCN1CCOCC1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is AEHVYKAPRRHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2/c25-19-5-1-17(2-6-19)21-15-22-24(31)29(10-9-28-11-13-32-14-12-28)23(16-30(22)27-21)18-3-7-20(26)8-4-18/h1-8,15-16H,9-14H2.
What are the key properties of 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one?
2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 469.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 56952948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).