2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide

C28H22N4O5 — CID 50795706

IUPAC2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H22N4O5/c33-27(29-21-7-9-22(10-8-21)35-17-19-4-2-1-3-5-19)16-31-12-13-32-24(28(31)34)15-23(30-32)20-6-11-25-26(14-20)37-18-36-25/h1-15H,16-18H2,(H,29,33)
InChIKeyMCOCXHYIZCWCIA-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.11
Rot. Bonds7

About 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide

2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 50795706) has the molecular formula C28H22N4O5 and a molecular weight of 494.51 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID50795706
Molecular FormulaC28H22N4O5
Molecular Weight494.51 g/mol
Exact Mass494.16
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C28H22N4O5/c33-27(29-21-7-9-22(10-8-21)35-17-19-4-2-1-3-5-19)16-31-12-13-32-24(28(31)34)15-23(30-32)20-6-11-25-26(14-20)37-18-36-25/h1-15H,16-18H2,(H,29,33)
InChIKeyMCOCXHYIZCWCIA-UHFFFAOYSA-N
XLogP4.11
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 30935640
2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 50742930
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875785
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 42100145
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 50795645
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832
2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332204
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16875796

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide (CID 50795706) is 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide is O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is MCOCXHYIZCWCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O5/c33-27(29-21-7-9-22(10-8-21)35-17-19-4-2-1-3-5-19)16-31-12-13-32-24(28(31)34)15-23(30-32)20-6-11-25-26(14-20)37-18-36-25/h1-15H,16-18H2,(H,29,33).
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide?
2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 494.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 50795706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).