1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C17H13ClF3N5O — CID 16730688

IUPAC1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)c(C(F)(F)F)c3)nc2n1
InChIInChI=1S/C17H13ClF3N5O/c1-2-22-16(27)26-14-6-5-12-15(25-14)24-13(8-23-12)9-3-4-11(18)10(7-9)17(19,20)21/h3-8H,2H2,1H3,(H2,22,24,25,26,27)
InChIKeyWHYPAJPIXFCDDO-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.51
Rot. Bonds3

About 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 16730688) has the molecular formula C17H13ClF3N5O and a molecular weight of 395.77 g/mol. Its IUPAC name is 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID16730688
Molecular FormulaC17H13ClF3N5O
Molecular Weight395.77 g/mol
Exact Mass395.08
IUPAC Name1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)c(C(F)(F)F)c3)nc2n1
InChIInChI=1S/C17H13ClF3N5O/c1-2-22-16(27)26-14-6-5-12-15(25-14)24-13(8-23-12)9-3-4-11(18)10(7-9)17(19,20)21/h3-8H,2H2,1H3,(H2,22,24,25,26,27)
InChIKeyWHYPAJPIXFCDDO-UHFFFAOYSA-N
XLogP4.51
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 16730688) is 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)c(C(F)(F)F)c3)nc2n1.
What is the InChIKey of 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is WHYPAJPIXFCDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O/c1-2-22-16(27)26-14-6-5-12-15(25-14)24-13(8-23-12)9-3-4-11(18)10(7-9)17(19,20)21/h3-8H,2H2,1H3,(H2,22,24,25,26,27).
What are the key properties of 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 395.77 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 16730688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).