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

C15H11N5O3 — CID 71280087

IUPAC2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCOc1nn(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccccc12
InChIInChI=1S/C15H11N5O3/c1-23-14-8-4-2-3-5-10(8)20(19-14)11-7-17-13-12(18-11)9(6-16-13)15(21)22/h2-7H,1H3,(H,16,17)(H,21,22)
InChIKeyUHABZTVRXKNLHC-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.00
Rot. Bonds3

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

2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280087) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280087
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCOc1nn(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccccc12
InChIInChI=1S/C15H11N5O3/c1-23-14-8-4-2-3-5-10(8)20(19-14)11-7-17-13-12(18-11)9(6-16-13)15(21)22/h2-7H,1H3,(H,16,17)(H,21,22)
InChIKeyUHABZTVRXKNLHC-UHFFFAOYSA-N
XLogP2.00
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280087) is 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is COc1nn(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccccc12.
What is the InChIKey of 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UHABZTVRXKNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c1-23-14-8-4-2-3-5-10(8)20(19-14)11-7-17-13-12(18-11)9(6-16-13)15(21)22/h2-7H,1H3,(H,16,17)(H,21,22).
What are the key properties of 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).