N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide

C22H21N5O4 — CID 4826927

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1OC
InChIInChI=1S/C22H21N5O4/c1-29-18-9-8-15(10-19(18)30-2)11-23-20(28)13-31-22-17-12-26-27(21(17)24-14-25-22)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)
InChIKeyYLYPSBICKVXXQF-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.53
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 4826927) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
PubChem CID4826927
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1OC
InChIInChI=1S/C22H21N5O4/c1-29-18-9-8-15(10-19(18)30-2)11-23-20(28)13-31-22-17-12-26-27(21(17)24-14-25-22)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)
InChIKeyYLYPSBICKVXXQF-UHFFFAOYSA-N
XLogP2.53
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2122954
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2470090
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide
CID 78803089
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 1315366
2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507574
5-[(3,4-dimethoxyphenyl)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 1079805
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18570173
1-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-methoxyphenyl]ethanone
CID 7205666

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (CID 4826927) is N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is COc1ccc(CNC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is YLYPSBICKVXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-18-9-8-15(10-19(18)30-2)11-23-20(28)13-31-22-17-12-26-27(21(17)24-14-25-22)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 419.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 4826927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).