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

C18H15N5OS — CID 16730527

IUPAC1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3csc4ccccc34)nc2n1
InChIInChI=1S/C18H15N5OS/c1-2-19-18(24)23-16-8-7-13-17(22-16)21-14(9-20-13)12-10-25-15-6-4-3-5-11(12)15/h3-10H,2H2,1H3,(H2,19,21,22,23,24)
InChIKeyPCKJQVNWTWWTCT-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.05
Rot. Bonds3

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

1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (PubChem CID 16730527) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
PubChem CID16730527
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2ncc(-c3csc4ccccc34)nc2n1
InChIInChI=1S/C18H15N5OS/c1-2-19-18(24)23-16-8-7-13-17(22-16)21-14(9-20-13)12-10-25-15-6-4-3-5-11(12)15/h3-10H,2H2,1H3,(H2,19,21,22,23,24)
InChIKeyPCKJQVNWTWWTCT-UHFFFAOYSA-N
XLogP4.05
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The IUPAC name of 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea (CID 16730527) is 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea.
What is the SMILES notation for 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The canonical SMILES for 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is CCNC(=O)Nc1ccc2ncc(-c3csc4ccccc34)nc2n1.
What is the InChIKey of 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
The InChIKey is PCKJQVNWTWWTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-2-19-18(24)23-16-8-7-13-17(22-16)21-14(9-20-13)12-10-25-15-6-4-3-5-11(12)15/h3-10H,2H2,1H3,(H2,19,21,22,23,24).
What are the key properties of 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea?
1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea has a molecular weight of 349.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzothiophen-3-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea is sourced from PubChem (CID 16730527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).