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

C20H18N6OS — CID 16727322

IUPAC1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(-c4ccsc4)cc3)nc2n1
InChIInChI=1S/C20H18N6OS/c1-2-21-20(27)26-17-8-7-16-19(24-17)25-18(11-22-16)23-15-5-3-13(4-6-15)14-9-10-28-12-14/h3-12H,2H2,1H3,(H3,21,23,24,25,26,27)
InChIKeyDLVWEVPIBDBCBI-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.64
Rot. Bonds5

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

1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 16727322) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID16727322
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(-c4ccsc4)cc3)nc2n1
InChIInChI=1S/C20H18N6OS/c1-2-21-20(27)26-17-8-7-16-19(24-17)25-18(11-22-16)23-15-5-3-13(4-6-15)14-9-10-28-12-14/h3-12H,2H2,1H3,(H3,21,23,24,25,26,27)
InChIKeyDLVWEVPIBDBCBI-UHFFFAOYSA-N
XLogP4.64
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea (CID 16727322) is 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(Nc3ccc(-c4ccsc4)cc3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is DLVWEVPIBDBCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-2-21-20(27)26-17-8-7-16-19(24-17)25-18(11-22-16)23-15-5-3-13(4-6-15)14-9-10-28-12-14/h3-12H,2H2,1H3,(H3,21,23,24,25,26,27).
What are the key properties of 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 390.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(4-thiophen-3-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 16727322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).