1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

C15H12N6OS — CID 58881823

IUPAC1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(C#N)s3)nc2n1
InChIInChI=1S/C15H12N6OS/c1-2-17-15(22)21-13-6-4-10-14(20-13)19-11(8-18-10)12-5-3-9(7-16)23-12/h3-6,8H,2H2,1H3,(H2,17,19,20,21,22)
InChIKeyRWXDBJGWZRCTGV-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.77
Rot. Bonds3

About 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea

1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 58881823) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID58881823
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(C#N)s3)nc2n1
InChIInChI=1S/C15H12N6OS/c1-2-17-15(22)21-13-6-4-10-14(20-13)19-11(8-18-10)12-5-3-9(7-16)23-12/h3-6,8H,2H2,1H3,(H2,17,19,20,21,22)
InChIKeyRWXDBJGWZRCTGV-UHFFFAOYSA-N
XLogP2.77
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 58881823) is 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(-c3ccc(C#N)s3)nc2n1.
What is the InChIKey of 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is RWXDBJGWZRCTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-2-17-15(22)21-13-6-4-10-14(20-13)19-11(8-18-10)12-5-3-9(7-16)23-12/h3-6,8H,2H2,1H3,(H2,17,19,20,21,22).
What are the key properties of 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 324.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyanothiophen-2-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 58881823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).