[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate

C21H23FN4O3 — CID 175149750

IUPAC[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1ccc(-c2ccnc3nccnc23)cc1F)OC(N)=O
InChIInChI=1S/C21H23FN4O3/c1-13(2)11-21(3,29-20(23)27)12-28-17-5-4-14(10-16(17)22)15-6-7-25-19-18(15)24-8-9-26-19/h4-10,13H,11-12H2,1-3H3,(H2,23,27)
InChIKeyOQUKAUWXXKTQBK-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.11
Rot. Bonds7

About [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate

[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 175149750) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate
PubChem CID175149750
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1ccc(-c2ccnc3nccnc23)cc1F)OC(N)=O
InChIInChI=1S/C21H23FN4O3/c1-13(2)11-21(3,29-20(23)27)12-28-17-5-4-14(10-16(17)22)15-6-7-25-19-18(15)24-8-9-26-19/h4-10,13H,11-12H2,1-3H3,(H2,23,27)
InChIKeyOQUKAUWXXKTQBK-UHFFFAOYSA-N
XLogP4.11
TPSA100.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate 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 [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate (CID 175149750) is [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate is CC(C)CC(C)(COc1ccc(-c2ccnc3nccnc23)cc1F)OC(N)=O.
What is the InChIKey of [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is OQUKAUWXXKTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-13(2)11-21(3,29-20(23)27)12-28-17-5-4-14(10-16(17)22)15-6-7-25-19-18(15)24-8-9-26-19/h4-10,13H,11-12H2,1-3H3,(H2,23,27).
What are the key properties of [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate?
[1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 398.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-pyrido[2,3-b]pyrazin-8-ylphenoxy)-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 175149750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).