N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

C24H21FN4O4 — CID 50791230

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C24H21FN4O4/c1-14-10-22(27-24-23(14)15(2)28-29(24)18-5-3-4-16(25)11-18)33-13-21(30)26-17-6-7-19-20(12-17)32-9-8-31-19/h3-7,10-12H,8-9,13H2,1-2H3,(H,26,30)
InChIKeyGQZUMLAVCMMXLG-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.97
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50791230) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50791230
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C24H21FN4O4/c1-14-10-22(27-24-23(14)15(2)28-29(24)18-5-3-4-16(25)11-18)33-13-21(30)26-17-6-7-19-20(12-17)32-9-8-31-19/h3-7,10-12H,8-9,13H2,1-2H3,(H,26,30)
InChIKeyGQZUMLAVCMMXLG-UHFFFAOYSA-N
XLogP3.97
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791202
N-(4-fluoro-2-methylphenyl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791258
N-(4-acetylphenyl)-2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791482
2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
CID 50791483
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791739
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethoxyphenyl)acetamide
CID 50799165
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-methoxy-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 50796301
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-fluorophenyl)acetamide
CID 50799170
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086747
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50791230) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)nc2c1c(C)nn2-c1cccc(F)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is GQZUMLAVCMMXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-14-10-22(27-24-23(14)15(2)28-29(24)18-5-3-4-16(25)11-18)33-13-21(30)26-17-6-7-19-20(12-17)32-9-8-31-19/h3-7,10-12H,8-9,13H2,1-2H3,(H,26,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 448.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50791230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).