2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one

C23H28N4O3S — CID 172906802

IUPAC2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(CCC(=O)N3CCSCC3)ccn2n1
InChIInChI=1S/C23H28N4O3S/c1-2-3-14-30-21-7-5-4-6-18(21)19-17-20-23(29)26(10-11-27(20)24-19)9-8-22(28)25-12-15-31-16-13-25/h4-7,10-11,17H,2-3,8-9,12-16H2,1H3
InChIKeyCQSYUMZNVBGEHV-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.31
Rot. Bonds8

About 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one

2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 172906802) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID172906802
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCOc1ccccc1-c1cc2c(=O)n(CCC(=O)N3CCSCC3)ccn2n1
InChIInChI=1S/C23H28N4O3S/c1-2-3-14-30-21-7-5-4-6-18(21)19-17-20-23(29)26(10-11-27(20)24-19)9-8-22(28)25-12-15-31-16-13-25/h4-7,10-11,17H,2-3,8-9,12-16H2,1H3
InChIKeyCQSYUMZNVBGEHV-UHFFFAOYSA-N
XLogP3.31
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyphenyl)-5-ethylpyrazolo[1,5-a]pyrazin-4-one
CID 172906699
2-[2-(2-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(cyclopropylmethyl)acetamide
CID 172906786
2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092949
2-(2-butoxyphenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092944
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 163353551
2-(4-ethoxyphenyl)-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332928
5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one
CID 146079696
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332891
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27372712
2-phenyl-5-propylpyrazolo[1,5-a]pyrazin-4-one
CID 91886931
2-[2-(2-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 27372713
2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332845

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one (CID 172906802) is 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one is CCCCOc1ccccc1-c1cc2c(=O)n(CCC(=O)N3CCSCC3)ccn2n1.
What is the InChIKey of 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CQSYUMZNVBGEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-2-3-14-30-21-7-5-4-6-18(21)19-17-20-23(29)26(10-11-27(20)24-19)9-8-22(28)25-12-15-31-16-13-25/h4-7,10-11,17H,2-3,8-9,12-16H2,1H3.
What are the key properties of 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one?
2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 440.57 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)-5-(3-oxo-3-thiomorpholin-4-ylpropyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 172906802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).