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

C23H19FN4O4 — CID 20944213

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C23H19FN4O4/c1-13-8-21(30)27(11-20(29)25-16-6-7-18-19(10-16)32-12-31-18)23-22(13)14(2)26-28(23)17-5-3-4-15(24)9-17/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyCEUNTGXKJPMDAN-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.31
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20944213) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20944213
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C23H19FN4O4/c1-13-8-21(30)27(11-20(29)25-16-6-7-18-19(10-16)32-12-31-18)23-22(13)14(2)26-28(23)17-5-3-4-15(24)9-17/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyCEUNTGXKJPMDAN-UHFFFAOYSA-N
XLogP3.31
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20944213) is N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c2c1c(C)nn2-c1cccc(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is CEUNTGXKJPMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-13-8-21(30)27(11-20(29)25-16-6-7-18-19(10-16)32-12-31-18)23-22(13)14(2)26-28(23)17-5-3-4-15(24)9-17/h3-10H,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 434.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20944213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).