2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid

C19H13FN4O3 — CID 118443183

IUPAC2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)nc1
InChIInChI=1S/C19H13FN4O3/c1-24(12-5-3-2-4-6-12)17-16(11-7-8-15(20)21-10-11)22-13-9-14(19(25)26)27-18(13)23-17/h2-10H,1H3,(H,25,26)
InChIKeyLNODUTNOSKPDAS-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.89
Rot. Bonds4

About 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid

2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 118443183) has the molecular formula C19H13FN4O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID118443183
Molecular FormulaC19H13FN4O3
Molecular Weight364.34 g/mol
Exact Mass364.10
IUPAC Name2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)nc1
InChIInChI=1S/C19H13FN4O3/c1-24(12-5-3-2-4-6-12)17-16(11-7-8-15(20)21-10-11)22-13-9-14(19(25)26)27-18(13)23-17/h2-10H,1H3,(H,25,26)
InChIKeyLNODUTNOSKPDAS-UHFFFAOYSA-N
XLogP3.89
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid (CID 118443183) is 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid is CN(c1ccccc1)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)nc1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is LNODUTNOSKPDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3/c1-24(12-5-3-2-4-6-12)17-16(11-7-8-15(20)21-10-11)22-13-9-14(19(25)26)27-18(13)23-17/h2-10H,1H3,(H,25,26).
What are the key properties of 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid?
2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 364.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)-3-(N-methylanilino)furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 118443183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).