1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid

C16H10FN5O2 — CID 25056898

IUPAC1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cncc(-n3ccc4ccc(F)cc43)n2)c1
InChIInChI=1S/C16H10FN5O2/c17-12-2-1-10-3-4-21(13(10)5-12)14-7-18-8-15(20-14)22-9-11(6-19-22)16(23)24/h1-9H,(H,23,24)
InChIKeyMJVDNMYIAYQMCG-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.44
Rot. Bonds3

About 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid

1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 25056898) has the molecular formula C16H10FN5O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
PubChem CID25056898
Molecular FormulaC16H10FN5O2
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC Name1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cncc(-n3ccc4ccc(F)cc43)n2)c1
InChIInChI=1S/C16H10FN5O2/c17-12-2-1-10-3-4-21(13(10)5-12)14-7-18-8-15(20-14)22-9-11(6-19-22)16(23)24/h1-9H,(H,23,24)
InChIKeyMJVDNMYIAYQMCG-UHFFFAOYSA-N
XLogP2.44
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid (CID 25056898) is 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cncc(-n3ccc4ccc(F)cc43)n2)c1.
What is the InChIKey of 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is MJVDNMYIAYQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2/c17-12-2-1-10-3-4-21(13(10)5-12)14-7-18-8-15(20-14)22-9-11(6-19-22)16(23)24/h1-9H,(H,23,24).
What are the key properties of 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 323.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 25056898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).