1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea

C17H18N6O3S — CID 16727318

IUPAC1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc2n1
InChIInChI=1S/C17H18N6O3S/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-11-4-6-12(7-5-11)27(2,25)26/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24)
InChIKeyGGVTWWWATDQMCY-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.31
Rot. Bonds5

About 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 16727318) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID16727318
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc2n1
InChIInChI=1S/C17H18N6O3S/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-11-4-6-12(7-5-11)27(2,25)26/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24)
InChIKeyGGVTWWWATDQMCY-UHFFFAOYSA-N
XLogP2.31
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea (CID 16727318) is 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is GGVTWWWATDQMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-11-4-6-12(7-5-11)27(2,25)26/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24).
What are the key properties of 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 386.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(4-methylsulfonylanilino)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 16727318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).