ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate

C18H12F2N4O2S — CID 66661616

IUPACethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccc(F)cc3F)nn(-c3cnccn3)c2s1
InChIInChI=1S/C18H12F2N4O2S/c1-2-26-18(25)14-8-12-16(11-4-3-10(19)7-13(11)20)23-24(17(12)27-14)15-9-21-5-6-22-15/h3-9H,2H2,1H3
InChIKeyYAZFPTQHVMJGML-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.00
Rot. Bonds4

About ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate

ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 66661616) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID66661616
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Nameethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccc(F)cc3F)nn(-c3cnccn3)c2s1
InChIInChI=1S/C18H12F2N4O2S/c1-2-26-18(25)14-8-12-16(11-4-3-10(19)7-13(11)20)23-24(17(12)27-14)15-9-21-5-6-22-15/h3-9H,2H2,1H3
InChIKeyYAZFPTQHVMJGML-UHFFFAOYSA-N
XLogP4.00
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate (CID 66661616) is ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate is CCOC(=O)c1cc2c(-c3ccc(F)cc3F)nn(-c3cnccn3)c2s1.
What is the InChIKey of ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is YAZFPTQHVMJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c1-2-26-18(25)14-8-12-16(11-4-3-10(19)7-13(11)20)23-24(17(12)27-14)15-9-21-5-6-22-15/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate?
ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 386.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-difluorophenyl)-1-pyrazin-2-ylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 66661616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).