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

C18H17N5O3S — CID 70814964

IUPACethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc3ccc(NC(=O)NC4CC4)nc3n2)cs1
InChIInChI=1S/C18H17N5O3S/c1-2-26-17(24)14-7-10(9-27-14)13-8-19-12-5-6-15(22-16(12)21-13)23-18(25)20-11-3-4-11/h5-9,11H,2-4H2,1H3,(H2,20,21,22,23,25)
InChIKeyZTWISKXVTZDMPT-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.21
Rot. Bonds5

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

ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate (PubChem CID 70814964) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
PubChem CID70814964
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Nameethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cnc3ccc(NC(=O)NC4CC4)nc3n2)cs1
InChIInChI=1S/C18H17N5O3S/c1-2-26-17(24)14-7-10(9-27-14)13-8-19-12-5-6-15(22-16(12)21-13)23-18(25)20-11-3-4-11/h5-9,11H,2-4H2,1H3,(H2,20,21,22,23,25)
InChIKeyZTWISKXVTZDMPT-UHFFFAOYSA-N
XLogP3.21
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The IUPAC name of ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate (CID 70814964) is ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate is CCOC(=O)c1cc(-c2cnc3ccc(NC(=O)NC4CC4)nc3n2)cs1.
What is the InChIKey of ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
The InChIKey is ZTWISKXVTZDMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-2-26-17(24)14-7-10(9-27-14)13-8-19-12-5-6-15(22-16(12)21-13)23-18(25)20-11-3-4-11/h5-9,11H,2-4H2,1H3,(H2,20,21,22,23,25).
What are the key properties of ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate?
ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(cyclopropylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylate is sourced from PubChem (CID 70814964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).