ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate

C20H17FN4O3 — CID 18999825

IUPACethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
SMILESCCOC(=O)Cn1cc2cc3ncc(-c4ccc(OC)c(F)c4)nc3cc2n1
InChIInChI=1S/C20H17FN4O3/c1-3-28-20(26)11-25-10-13-7-16-17(8-15(13)24-25)23-18(9-22-16)12-4-5-19(27-2)14(21)6-12/h4-10H,3,11H2,1-2H3
InChIKeySLCPKRGGKDAGLH-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.36
Rot. Bonds5

About ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate

ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate (PubChem CID 18999825) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
PubChem CID18999825
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Nameethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate
SMILESCCOC(=O)Cn1cc2cc3ncc(-c4ccc(OC)c(F)c4)nc3cc2n1
InChIInChI=1S/C20H17FN4O3/c1-3-28-20(26)11-25-10-13-7-16-17(8-15(13)24-25)23-18(9-22-16)12-4-5-19(27-2)14(21)6-12/h4-10H,3,11H2,1-2H3
InChIKeySLCPKRGGKDAGLH-UHFFFAOYSA-N
XLogP3.36
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate 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 ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate?
The IUPAC name of ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate (CID 18999825) is ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate?
The canonical SMILES for ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate is CCOC(=O)Cn1cc2cc3ncc(-c4ccc(OC)c(F)c4)nc3cc2n1.
What is the InChIKey of ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate?
The InChIKey is SLCPKRGGKDAGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-3-28-20(26)11-25-10-13-7-16-17(8-15(13)24-25)23-18(9-22-16)12-4-5-19(27-2)14(21)6-12/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate?
ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate has a molecular weight of 380.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-(3-fluoro-4-methoxyphenyl)pyrazolo[4,3-g]quinoxalin-2-yl]acetate is sourced from PubChem (CID 18999825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).