ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate

C17H17N5O3S — CID 70815128

IUPACethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
SMILESCCNC(=O)Nc1ccc2ncc(-c3csc(C(=O)OCC)c3)nc2n1
InChIInChI=1S/C17H17N5O3S/c1-3-18-17(24)22-14-6-5-11-15(21-14)20-12(8-19-11)10-7-13(26-9-10)16(23)25-4-2/h5-9H,3-4H2,1-2H3,(H2,18,20,21,22,24)
InChIKeyBEHCUXBEYROAIX-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.07
Rot. Bonds5

About ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate

ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate (PubChem CID 70815128) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
PubChem CID70815128
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Nameethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
SMILESCCNC(=O)Nc1ccc2ncc(-c3csc(C(=O)OCC)c3)nc2n1
InChIInChI=1S/C17H17N5O3S/c1-3-18-17(24)22-14-6-5-11-15(21-14)20-12(8-19-11)10-7-13(26-9-10)16(23)25-4-2/h5-9H,3-4H2,1-2H3,(H2,18,20,21,22,24)
InChIKeyBEHCUXBEYROAIX-UHFFFAOYSA-N
XLogP3.07
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The IUPAC name of ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate (CID 70815128) is ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate is CCNC(=O)Nc1ccc2ncc(-c3csc(C(=O)OCC)c3)nc2n1.
What is the InChIKey of ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The InChIKey is BEHCUXBEYROAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-3-18-17(24)22-14-6-5-11-15(21-14)20-12(8-19-11)10-7-13(26-9-10)16(23)25-4-2/h5-9H,3-4H2,1-2H3,(H2,18,20,21,22,24).
What are the key properties of ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate is sourced from PubChem (CID 70815128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).