1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C16H13ClFN5O — CID 25150946

IUPAC1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3F)nc2n1
InChIInChI=1S/C16H13ClFN5O/c1-2-19-16(24)23-13-7-6-11-15(22-13)21-12(8-20-11)9-4-3-5-10(17)14(9)18/h3-8H,2H2,1H3,(H2,19,21,22,23,24)
InChIKeyXAXWZDXYHVEQMA-UHFFFAOYSA-N
MW345.77 g/mol
LogP3.63
Rot. Bonds3

About 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 25150946) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID25150946
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC Name1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3F)nc2n1
InChIInChI=1S/C16H13ClFN5O/c1-2-19-16(24)23-13-7-6-11-15(22-13)21-12(8-20-11)9-4-3-5-10(17)14(9)18/h3-8H,2H2,1H3,(H2,19,21,22,23,24)
InChIKeyXAXWZDXYHVEQMA-UHFFFAOYSA-N
XLogP3.63
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 25150946) is 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3F)nc2n1.
What is the InChIKey of 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is XAXWZDXYHVEQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c1-2-19-16(24)23-13-7-6-11-15(22-13)21-12(8-20-11)9-4-3-5-10(17)14(9)18/h3-8H,2H2,1H3,(H2,19,21,22,23,24).
What are the key properties of 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 345.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 25150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).