N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

C20H14F2N4O2 — CID 20937808

IUPACN-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1c2ncccc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H14F2N4O2/c21-13-8-9-17(16(22)11-13)24-18(27)12-25-19-15(7-4-10-23-19)20(28)26(25)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,27)
InChIKeyAXOJAAMRJBEWKT-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.10
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 20937808) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID20937808
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC NameN-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1c2ncccc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H14F2N4O2/c21-13-8-9-17(16(22)11-13)24-18(27)12-25-19-15(7-4-10-23-19)20(28)26(25)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,27)
InChIKeyAXOJAAMRJBEWKT-UHFFFAOYSA-N
XLogP3.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]amino]-N-ethylpyridine-3-carboxamide
CID 118341355
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
N-(2,4-difluorophenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 1475775
1-(4-methylphenyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 1483593
N-[(1,1-Dimethyl-propylcarbamoyl)-methyl]-N-(4-fluoro-phenyl)-6-pyrrolidin-1-yl-nicotinamide
CID 3207265
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463281
N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
CID 3750844
2-anilino-N-phenylnicotinamide
CID 2219319
N-(2-aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide
CID 16070046
2-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethyl)phenyl)nicotinamide
CID 20773396
N-(2-aminophenyl)-6-(5-(4-fluorophenyl)-2,5-diaza-bicyclo[2.2.1]heptan-2-yl)nicotinamide
CID 44433627

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide (CID 20937808) is N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is O=C(Cn1c2ncccc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is AXOJAAMRJBEWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-13-8-9-17(16(22)11-13)24-18(27)12-25-19-15(7-4-10-23-19)20(28)26(25)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide?
N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 380.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 20937808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).