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

C17H14FN3O3 — CID 70659481

IUPAC3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H14FN3O3/c1-21(11-6-7-11)15-14(9-2-4-10(18)5-3-9)19-12-8-13(17(22)23)24-16(12)20-15/h2-5,8,11H,6-7H2,1H3,(H,22,23)
InChIKeyYSMYZTFYYHVOPM-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.33
Rot. Bonds4

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

3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659481) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659481
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H14FN3O3/c1-21(11-6-7-11)15-14(9-2-4-10(18)5-3-9)19-12-8-13(17(22)23)24-16(12)20-15/h2-5,8,11H,6-7H2,1H3,(H,22,23)
InChIKeyYSMYZTFYYHVOPM-UHFFFAOYSA-N
XLogP3.33
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid (CID 70659481) is 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid is CN(c1nc2oc(C(=O)O)cc2nc1-c1ccc(F)cc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is YSMYZTFYYHVOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-21(11-6-7-11)15-14(9-2-4-10(18)5-3-9)19-12-8-13(17(22)23)24-16(12)20-15/h2-5,8,11H,6-7H2,1H3,(H,22,23).
What are the key properties of 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid?
3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 327.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).