N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide

C23H18F4N4O2 — CID 22575910

IUPACN-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(=O)n(CC(=O)NCc3ccc(F)cc3)c21
InChIInChI=1S/C23H18F4N4O2/c1-30-22-20(21(29-30)15-5-3-2-4-6-15)17(23(25,26)27)11-19(33)31(22)13-18(32)28-12-14-7-9-16(24)10-8-14/h2-11H,12-13H2,1H3,(H,28,32)
InChIKeyQZYJQIUXPDOJFZ-UHFFFAOYSA-N
MW458.42 g/mol
LogP3.88
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 22575910) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID22575910
Molecular FormulaC23H18F4N4O2
Molecular Weight458.42 g/mol
Exact Mass458.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(=O)n(CC(=O)NCc3ccc(F)cc3)c21
InChIInChI=1S/C23H18F4N4O2/c1-30-22-20(21(29-30)15-5-3-2-4-6-15)17(23(25,26)27)11-19(33)31(22)13-18(32)28-12-14-7-9-16(24)10-8-14/h2-11H,12-13H2,1H3,(H,28,32)
InChIKeyQZYJQIUXPDOJFZ-UHFFFAOYSA-N
XLogP3.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 46339050
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(2-phenylethyl)acetamide
CID 20944248
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575738
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346777
N-[(4-fluorophenyl)methyl]-2-[7-(methoxymethyl)-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 95920407
N-[(4-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]acetamide
CID 46136976
N-[(4-fluorophenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 51361100
2-[1-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46135993
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575764

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 22575910) is N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide is Cn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(=O)n(CC(=O)NCc3ccc(F)cc3)c21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is QZYJQIUXPDOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-30-22-20(21(29-30)15-5-3-2-4-6-15)17(23(25,26)27)11-19(33)31(22)13-18(32)28-12-14-7-9-16(24)10-8-14/h2-11H,12-13H2,1H3,(H,28,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 458.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 22575910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).