2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C15H10FN5O2 — CID 71283584

IUPAC2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3n[nH]c4cc(CF)ccc34)nc12
InChIInChI=1S/C15H10FN5O2/c16-4-7-1-2-8-10(3-7)20-21-12(8)11-6-18-14-13(19-11)9(5-17-14)15(22)23/h1-3,5-6H,4H2,(H,17,18)(H,20,21)(H,22,23)
InChIKeyMPRWBLYOOKAJSF-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.67
Rot. Bonds3

About 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71283584) has the molecular formula C15H10FN5O2 and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71283584
Molecular FormulaC15H10FN5O2
Molecular Weight311.28 g/mol
Exact Mass311.08
IUPAC Name2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3n[nH]c4cc(CF)ccc34)nc12
InChIInChI=1S/C15H10FN5O2/c16-4-7-1-2-8-10(3-7)20-21-12(8)11-6-18-14-13(19-11)9(5-17-14)15(22)23/h1-3,5-6H,4H2,(H,17,18)(H,20,21)(H,22,23)
InChIKeyMPRWBLYOOKAJSF-UHFFFAOYSA-N
XLogP2.67
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71283584) is 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3n[nH]c4cc(CF)ccc34)nc12.
What is the InChIKey of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is MPRWBLYOOKAJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2/c16-4-7-1-2-8-10(3-7)20-21-12(8)11-6-18-14-13(19-11)9(5-17-14)15(22)23/h1-3,5-6H,4H2,(H,17,18)(H,20,21)(H,22,23).
What are the key properties of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 311.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71283584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).