2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide

C21H20N4O5 — CID 16957015

IUPAC2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1OC
InChIInChI=1S/C21H20N4O5/c1-28-18-6-5-14(10-19(18)29-2)16-11-17-21(27)24(7-8-25(17)23-16)13-20(26)22-12-15-4-3-9-30-15/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyVRHIFBFPYCNDAS-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.09
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 16957015) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID16957015
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1OC
InChIInChI=1S/C21H20N4O5/c1-28-18-6-5-14(10-19(18)29-2)16-11-17-21(27)24(7-8-25(17)23-16)13-20(26)22-12-15-4-3-9-30-15/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyVRHIFBFPYCNDAS-UHFFFAOYSA-N
XLogP2.09
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956925
N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956990
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 50926057
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956891
2-(3,4-dimethoxyphenyl)-5-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093080
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509333
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide (CID 16957015) is 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccco4)ccn3n2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VRHIFBFPYCNDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-28-18-6-5-14(10-19(18)29-2)16-11-17-21(27)24(7-8-25(17)23-16)13-20(26)22-12-15-4-3-9-30-15/h3-11H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16957015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).