2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid

C19H13FN4O2S — CID 70659385

IUPAC2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1cccnc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2S/c1-24(13-3-2-8-21-10-13)17-16(11-4-6-12(20)7-5-11)22-14-9-15(19(25)26)27-18(14)23-17/h2-10H,1H3,(H,25,26)
InChIKeyQBDGPEQUNCGPRK-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.36
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid

2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659385) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659385
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1cccnc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2S/c1-24(13-3-2-8-21-10-13)17-16(11-4-6-12(20)7-5-11)22-14-9-15(19(25)26)27-18(14)23-17/h2-10H,1H3,(H,25,26)
InChIKeyQBDGPEQUNCGPRK-UHFFFAOYSA-N
XLogP4.36
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid (CID 70659385) is 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid is CN(c1cccnc1)c1nc2sc(C(=O)O)cc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is QBDGPEQUNCGPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-24(13-3-2-8-21-10-13)17-16(11-4-6-12(20)7-5-11)22-14-9-15(19(25)26)27-18(14)23-17/h2-10H,1H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid?
2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).