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

C20H15F2N5O3 — CID 2470090

IUPACN-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H15F2N5O3/c21-20(22)30-16-9-5-4-8-15(16)26-17(28)11-29-19-14-10-25-27(18(14)23-12-24-19)13-6-2-1-3-7-13/h1-10,12,20H,11H2,(H,26,28)
InChIKeyGRMCEEDWPQBRKP-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.43
Rot. Bonds7

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

N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 2470090) has the molecular formula C20H15F2N5O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
PubChem CID2470090
Molecular FormulaC20H15F2N5O3
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H15F2N5O3/c21-20(22)30-16-9-5-4-8-15(16)26-17(28)11-29-19-14-10-25-27(18(14)23-12-24-19)13-6-2-1-3-7-13/h1-10,12,20H,11H2,(H,26,28)
InChIKeyGRMCEEDWPQBRKP-UHFFFAOYSA-N
XLogP3.43
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-quinazolin-4-yloxyacetamide
CID 2392933
N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2122954
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112770726
2-[2-[2-(difluoromethoxy)anilino]-2-oxoethoxy]benzamide
CID 7278808
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469
2-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-2-amine
CID 64538208
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 43065131
N-[2-(difluoromethoxy)phenyl]-3-hydroxy-3-phenylpropanamide
CID 110883082
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 86932152
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2116950

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide (CID 2470090) is N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is O=C(COc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is GRMCEEDWPQBRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3/c21-20(22)30-16-9-5-4-8-15(16)26-17(28)11-29-19-14-10-25-27(18(14)23-12-24-19)13-6-2-1-3-7-13/h1-10,12,20H,11H2,(H,26,28).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide?
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 411.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 2470090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).