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

C21H19N5O4 — CID 2122954

IUPACN-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESCOc1cc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H19N5O4/c1-28-16-8-14(9-17(10-16)29-2)25-19(27)12-30-21-18-11-24-26(20(18)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKeyHWIRFOGWLVLNQM-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.85
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 2122954) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
PubChem CID2122954
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESCOc1cc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H19N5O4/c1-28-16-8-14(9-17(10-16)29-2)25-19(27)12-30-21-18-11-24-26(20(18)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKeyHWIRFOGWLVLNQM-UHFFFAOYSA-N
XLogP2.85
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 4826927
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2470090
2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507574
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 1445422
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
N-(3,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445507
2-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-2-amine
CID 64538208
2-[4-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]triazol-1-yl]-N-pyridin-3-ylacetamide
CID 163322763
2-(4-methoxyphenyl)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
CID 18570069
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
CID 143937639
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 2550913

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (CID 2122954) is N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is COc1cc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is HWIRFOGWLVLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-28-16-8-14(9-17(10-16)29-2)25-19(27)12-30-21-18-11-24-26(20(18)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 405.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2122954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).