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

C17H16FN3O3 — CID 70659549

IUPAC2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15/h4-9H,1-3H3,(H,22,23)
InChIKeyHNBXCNYYWKMWIS-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.57
Rot. Bonds4

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

2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659549) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659549
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3/c1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15/h4-9H,1-3H3,(H,22,23)
InChIKeyHNBXCNYYWKMWIS-UHFFFAOYSA-N
XLogP3.57
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid (CID 70659549) is 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is HNBXCNYYWKMWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-9(2)21(3)15-14(10-4-6-11(18)7-5-10)19-12-8-13(17(22)23)24-16(12)20-15/h4-9H,1-3H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 329.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).