N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

C22H17BrF2N4O2 — CID 20944208

IUPACN-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C22H17BrF2N4O2/c1-12-8-20(31)28(11-19(30)26-18-7-6-14(23)9-17(18)25)22-21(12)13(2)27-29(22)16-5-3-4-15(24)10-16/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyRQUSXYGYXABBGS-UHFFFAOYSA-N
MW487.30 g/mol
LogP4.48
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20944208) has the molecular formula C22H17BrF2N4O2 and a molecular weight of 487.30 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20944208
Molecular FormulaC22H17BrF2N4O2
Molecular Weight487.30 g/mol
Exact Mass486.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C22H17BrF2N4O2/c1-12-8-20(31)28(11-19(30)26-18-7-6-14(23)9-17(18)25)22-21(12)13(2)27-29(22)16-5-3-4-15(24)10-16/h3-10H,11H2,1-2H3,(H,26,30)
InChIKeyRQUSXYGYXABBGS-UHFFFAOYSA-N
XLogP4.48
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944219
2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 46339049
N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 46339050
N-(4-bromo-2-fluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17251346
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2,4-dimethylphenyl)propanamide
CID 46306734
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20939921
N-(4-fluoro-2-methylphenyl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791258
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20944208) is N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c2c1c(C)nn2-c1cccc(F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is RQUSXYGYXABBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrF2N4O2/c1-12-8-20(31)28(11-19(30)26-18-7-6-14(23)9-17(18)25)22-21(12)13(2)27-29(22)16-5-3-4-15(24)10-16/h3-10H,11H2,1-2H3,(H,26,30).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 487.30 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20944208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).