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

C14H8ClN5O2 — CID 71280006

IUPAC2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12
InChIInChI=1S/C14H8ClN5O2/c15-8-2-1-7-4-18-20(10(7)3-8)11-6-17-13-12(19-11)9(5-16-13)14(21)22/h1-6H,(H,16,17)(H,21,22)
InChIKeyHTIIMBWDFVVUAP-UHFFFAOYSA-N
MW313.70 g/mol
LogP2.65
Rot. Bonds2

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

2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280006) has the molecular formula C14H8ClN5O2 and a molecular weight of 313.70 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280006
Molecular FormulaC14H8ClN5O2
Molecular Weight313.70 g/mol
Exact Mass313.04
IUPAC Name2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12
InChIInChI=1S/C14H8ClN5O2/c15-8-2-1-7-4-18-20(10(7)3-8)11-6-17-13-12(19-11)9(5-16-13)14(21)22/h1-6H,(H,16,17)(H,21,22)
InChIKeyHTIIMBWDFVVUAP-UHFFFAOYSA-N
XLogP2.65
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280006) is 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is HTIIMBWDFVVUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O2/c15-8-2-1-7-4-18-20(10(7)3-8)11-6-17-13-12(19-11)9(5-16-13)14(21)22/h1-6H,(H,16,17)(H,21,22).
What are the key properties of 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 313.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).