2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

C18H17FN4O2S — CID 51334533

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2cnc3c(c2)c(C)nn3C)c(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-10-14-7-13(8-20-18(14)23(3)22-10)21-17(25)9-26-16-5-4-12(11(2)24)6-15(16)19/h4-8H,9H2,1-3H3,(H,21,25)
InChIKeyGXWKVGIMMZXEKR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 51334533) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID51334533
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2cnc3c(c2)c(C)nn3C)c(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-10-14-7-13(8-20-18(14)23(3)22-10)21-17(25)9-26-16-5-4-12(11(2)24)6-15(16)19/h4-8H,9H2,1-3H3,(H,21,25)
InChIKeyGXWKVGIMMZXEKR-UHFFFAOYSA-N
XLogP3.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide with MolForge

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 35830804
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
4-chloro-N-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]-4-oxobutyl]benzamide
CID 134024922
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 81171959

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 51334533) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is CC(=O)c1ccc(SCC(=O)Nc2cnc3c(c2)c(C)nn3C)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is GXWKVGIMMZXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-10-14-7-13(8-20-18(14)23(3)22-10)21-17(25)9-26-16-5-4-12(11(2)24)6-15(16)19/h4-8H,9H2,1-3H3,(H,21,25).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 51334533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).