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

C23H18F4N4O2 — CID 46339050

IUPACN-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1nn(-c2cccc(F)c2)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccccc1
InChIInChI=1S/C23H18F4N4O2/c1-14-21-18(23(25,26)27)11-20(33)30(13-19(32)28-12-15-6-3-2-4-7-15)22(21)31(29-14)17-9-5-8-16(24)10-17/h2-11H,12-13H2,1H3,(H,28,32)
InChIKeyORAQYPGMNQEJHX-UHFFFAOYSA-N
MW458.42 g/mol
LogP3.97
Rot. Bonds5

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

N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 46339050) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID46339050
Molecular FormulaC23H18F4N4O2
Molecular Weight458.42 g/mol
Exact Mass458.14
IUPAC NameN-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1nn(-c2cccc(F)c2)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccccc1
InChIInChI=1S/C23H18F4N4O2/c1-14-21-18(23(25,26)27)11-20(33)30(13-19(32)28-12-15-6-3-2-4-7-15)22(21)31(29-14)17-9-5-8-16(24)10-17/h2-11H,12-13H2,1H3,(H,28,32)
InChIKeyORAQYPGMNQEJHX-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 46339049
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-[1-methyl-6-oxo-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 22575910
N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944219
N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944208
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575764
N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 22575760
3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 46339101
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
N-[(4-ethoxyphenyl)methyl]-3-[1-(3-fluorophenyl)-3,4,7-trimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961623

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 46339050) is N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide is Cc1nn(-c2cccc(F)c2)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is ORAQYPGMNQEJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-14-21-18(23(25,26)27)11-20(33)30(13-19(32)28-12-15-6-3-2-4-7-15)22(21)31(29-14)17-9-5-8-16(24)10-17/h2-11H,12-13H2,1H3,(H,28,32).
What are the key properties of N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 458.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 46339050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).