1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea

C17H16FN5O2 — CID 25150944

IUPAC1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cc(F)ccc3OC)nc2n1
InChIInChI=1S/C17H16FN5O2/c1-3-19-17(24)23-15-7-5-12-16(22-15)21-13(9-20-12)11-8-10(18)4-6-14(11)25-2/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyZZPBJQDJSPKNGH-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.98
Rot. Bonds4

About 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 25150944) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID25150944
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cc(F)ccc3OC)nc2n1
InChIInChI=1S/C17H16FN5O2/c1-3-19-17(24)23-15-7-5-12-16(22-15)21-13(9-20-12)11-8-10(18)4-6-14(11)25-2/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyZZPBJQDJSPKNGH-UHFFFAOYSA-N
XLogP2.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea 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-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea (CID 25150944) is 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(-c3cc(F)ccc3OC)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is ZZPBJQDJSPKNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-3-19-17(24)23-15-7-5-12-16(22-15)21-13(9-20-12)11-8-10(18)4-6-14(11)25-2/h4-9H,3H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 341.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 25150944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).