6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid

C21H19FN4O2 — CID 139439404

IUPAC6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
SMILESNc1cnc(-c2ccc(C3CCC3)c(Cc3ccc(C(=O)O)cn3)c2F)cn1
InChIInChI=1S/C21H19FN4O2/c22-20-16(18-10-26-19(23)11-25-18)7-6-15(12-2-1-3-12)17(20)8-14-5-4-13(9-24-14)21(27)28/h4-7,9-12H,1-3,8H2,(H2,23,26)(H,27,28)
InChIKeyICZGMXBBMQPTAF-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.82
Rot. Bonds5

About 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid

6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 139439404) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
PubChem CID139439404
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid
SMILESNc1cnc(-c2ccc(C3CCC3)c(Cc3ccc(C(=O)O)cn3)c2F)cn1
InChIInChI=1S/C21H19FN4O2/c22-20-16(18-10-26-19(23)11-25-18)7-6-15(12-2-1-3-12)17(20)8-14-5-4-13(9-24-14)21(27)28/h4-7,9-12H,1-3,8H2,(H2,23,26)(H,27,28)
InChIKeyICZGMXBBMQPTAF-UHFFFAOYSA-N
XLogP3.82
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid (CID 139439404) is 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid is Nc1cnc(-c2ccc(C3CCC3)c(Cc3ccc(C(=O)O)cn3)c2F)cn1.
What is the InChIKey of 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is ICZGMXBBMQPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-20-16(18-10-26-19(23)11-25-18)7-6-15(12-2-1-3-12)17(20)8-14-5-4-13(9-24-14)21(27)28/h4-7,9-12H,1-3,8H2,(H2,23,26)(H,27,28).
What are the key properties of 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid?
6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139439404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).