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

C15H10FN5O2 — CID 71279639

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C15H10FN5O2/c1-21-11-4-7(16)2-3-8(11)12(20-21)10-6-18-14-13(19-10)9(5-17-14)15(22)23/h2-6H,1H3,(H,17,18)(H,22,23)
InChIKeySDBVCINLBKCZTI-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.35
Rot. Bonds2

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

2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279639) has the molecular formula C15H10FN5O2 and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279639
Molecular FormulaC15H10FN5O2
Molecular Weight311.28 g/mol
Exact Mass311.08
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C15H10FN5O2/c1-21-11-4-7(16)2-3-8(11)12(20-21)10-6-18-14-13(19-10)9(5-17-14)15(22)23/h2-6H,1H3,(H,17,18)(H,22,23)
InChIKeySDBVCINLBKCZTI-UHFFFAOYSA-N
XLogP2.35
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279639) is 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is SDBVCINLBKCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2/c1-21-11-4-7(16)2-3-8(11)12(20-21)10-6-18-14-13(19-10)9(5-17-14)15(22)23/h2-6H,1H3,(H,17,18)(H,22,23).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 311.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).